C_ID |
CAS ID |
Metabolite |
Molecular formula |
Mw | Organism |
C00000095 | 15896-46-5 | 9-Ribosyl-cis-zeatin | C15H21N5O5 | 351.15426882 | Solanum tuberosum |
C00000116 | 133-32-4 | Indole-3-butyric acid | C12H13NO2 | 203.09462867 | Solanum tuberosum |
C00000152 | 7400-08-0 | p-Coumaric acid | C9H8O3 | 164.04734412 | Solanum tuberosum |
C00000218 | 6894-38-8 | Jasmonic acid | C12H18O3 | 210.12559444 | Solanum tuberosum |
C00000221 | 124649-26-9 | Tuberonic acid | C12H18O4 | 226.12050906 | Solanum tuberosum |
C00000448 | 52591-16-9 | Colnelenic acid | C18H28O3 | 292.20384476 | Solanum tuberosum |
C00000449 | 52761-34-9 | Colneleic acid | C18H30O3 | 294.21949482 | Solanum tuberosum |
C00000615 | 501-16-6 | Caffeic acid | C9H8O4 | 180.04225874 | Solanum tuberosum |
C00000660 | 65646-26-6 | N-Feruloyltyramine | C18H19NO4 | 313.1314081 | Solanum tuberosum |
C00000665 | 80510-06-1 | (+-)-Grossamide | C36H36N2O8 | 624.24716614 | Solanum tuberosum |
C00000856 | 99-96-7 | 4-hydroxybenzoic acid | C7H6O3 | 138.03169406 | Solanum tuberosum |
C00000905 | 13920-14-4 | Phytoene | C40H64 | 544.50080204 | Solanum tuberosum |
C00000919 | 7235-40-7 | E-beta-carotene | C40H56 | 536.43820179 | Solanum tuberosum |
C00000920 | 472-70-8 | beta-Cryptoxanthin | C40H56O | 552.43311641 | Solanum tuberosum |
C00000922 | 514-78-3 | Canthaxanthin | C40H52O2 | 564.3967309 | Solanum tuberosum |
C00000925 | 432-68-8 | beta-Echinenone | C40H54O | 550.41746634 | Solanum tuberosum |
C00000931 | 144-68-3 | Zeaxanthin | C40H56O2 | 568.42803103 | Solanum tuberosum |
C00000947 | 154-23-4 | Catechin | C15H14O6 | 290.07903818 | Solanum tuberosum subsp. Andigena |
C00000956 | 490-46-0 | Epicatechin | C15H14O6 | 290.07903818 | Solanum tuberosum subsp. Andigena |
C00000983 | 10236-47-2 | Naringin | C27H32O14 | 580.17920573 | Solanum tuberosum |
C00001151 | 57-50-1 | Sucrose | C12H22O11 | 342.11621155 | Solanum tuberosum |
C00001158 | 106777-19-9 | 2-Carboxyarabinitol 1-phosphate | C6H13O10P | 276.02463313 | Solanum tuberosum |
C00001164 | 87-89-8 | Inositol | C6H12O6 | 180.06338812 | Solanum tuberosum |
C00001171 | 488-81-3 | Ribitol | C5H12O5 | 152.06847349 | Solanum tuberosum |
C00001185 | 473-81-4 | D-Glyceric acid | C3H6O4 | 106.02660868 | Solanum tuberosum |
C00001203 | 138-59-0 | Shikimic acid | C7H10O5 | 174.05282343 | Solanum tuberosum |
C00001209 | 506-30-9 | Arachidic acid | C20H40O2 | 312.30283052 | Solanum tuberosum |
C00001221 | 143-07-7 | Lauric acid | C12H24O2 | 200.17763001 | Solanum tuberosum |
C00001224 | 60-33-3 | Linoleic acid | C18H32O2 | 280.24023027 | Solanum tuberosum |
C00001228 | 544-63-8 | Tetradecanoic acid | C14H28O2 | 228.20893014 | Solanum tuberosum |
C00001232 | 112-80-1 | Oleic acid | C18H34O2 | 282.25588033 | Solanum tuberosum |
C00001233 | 57-10-3 | Palmitic acid | C16H32O2 | 256.24023027 | Solanum tuberosum |
C00001238 | 57-11-4 | Octadecanoic acid | C18H36O2 | 284.27153039 | Solanum tuberosum |
C00001253 | 502-73-8 | Hentriacontan-16-one | C31H62O | 450.4800666 | Solanum tuberosum |
C00001255 | 506-52-5 | Hexacosan-1-ol | C26H54O | 382.41746634 | Solanum tuberosum |
C00001260 | 630-03-5 | Nonacosane | C29H60 | 408.46950191 | Solanum tuberosum |
C00001262 | 504-56-3 | Ginnone | C29H58O | 422.44876647 | Solanum tuberosum |
C00001263 | 557-61-9 | Octacosan-1-ol | C28H58O | 410.44876647 | Solanum tuberosum |
C00001267 | 107-03-9 | Propane-1-thiol | C3H8S | 76.03467099 | Solanum tuberosum |
C00001268 | 75-33-2 | Propane-2-thiol | C3H8S | 76.03467099 | Solanum tuberosum |
C00001269 | 593-50-0 | Triacontanol | C30H62O | 438.4800666 | Solanum tuberosum |
C00001326 | 120399-24-8 | Tuberonic acid glucoside | C18H28O9 | 388.17333249 | Solanum tuberosum |
C00001337 | 56-12-2 | GABA | C4H9NO2 | 103.06332854 | Solanum tuberosum |
C00001408 | 51-61-6 | Dopamine | C8H11NO2 | 153.0789786 | Solanum tuberosum L. |
C00001424 | 51-41-2 | Noradrenaline | C8H11NO3 | 169.07389323 | Solanum tuberosum L. |
C00001434 | 61-54-1 | Tryptamine | C10H12N2 | 160.1000484 | Solanum tuberosum |
C00001435 | 51-67-2 | Tyramine | C8H11NO | 137.08406398 | Solanum tuberosum |
C00001528 | 479-61-8 | Chlorophyll a | C55H72MgN4O5 | 892.53531331 | Solanum tuberosum |
C00002242 | 20562-03-2 | Chaconine | C45H73NO14 | 851.50310605 | Solanum tuberosum |
C00002261 | 80-78-4 | Solanidine | C27H43NO | 397.334465 | Solanum tuberosum |
C00002262 | 20562-02-1 | alpha-Solanine | C45H73NO15 | 867.49802067 | Solanum tuberosum |
C00002264 | 126-17-0 | Solasodine | C27H43NO2 | 413.32937962 | Solanum tuberosum |
C00002282 | 131580-36-4 | Calystegin A3 | C7H13NO3 | 159.08954329 | Solanum tuberosum |
C00002283 | 127414-85-1 | Calystegin B2 | C7H13NO4 | 175.08445791 | Solanum tuberosum |
C00002503 | 93-35-6 | Umbelliferone | C9H6O3 | 162.03169406 | Solanum tuberosum |
C00002682 | 121-34-6 | Vanillic acid | C8H8O4 | 168.04225874 | Solanum tuberosum |
C00002683 | 5463-22-9 | Vanillin | C8H8O3 | 152.04734412 | Solanum tuberosum |
C00002719 | 29554-26-5 | N-Caffeoylputrescine | C13H18N2O3 | 250.13174246 | Solanum tuberosum |
C00002724 | 327-97-9 | 3-O-Caffeoylquinic acid | C16H18O9 | 354.09508217 | Solanum tuberosum L. |
C00002743 | 1135-24-6 | Ferulic acid | C10H10O4 | 194.05790881 | Solanum tuberosum |
C00002759 | 3843-74-1 | Methyl caffeate | C10H10O4 | 194.05790881 | Solanum tuberosum |
C00002776 | 530-59-6 | Sinapic acid | C11H12O5 | 224.06847349 | Solanum tuberosum |
C00002780 | 501-13-3 | Feruloylputrescine | C14H20N2O3 | 264.14739252 | Solanum tuberosum |
C00003163 | 35951-50-9 | Lubimin | C15H24O2 | 236.17763001 | Solanum tuberosum |
C00003172 | 37209-50-0 | (-)-Phytuberin | C17H26O4 | 294.18310932 | Solanum tuberosum |
C00003178 | 18178-54-6 | Rishitin | C14H22O2 | 222.16197995 | Solanum tuberosum |
C00003191 | 61167-63-3 | Solavetivone | C15H22O | 218.16706532 | Solanum tuberosum |
C00003585 | 55056-80-9 | Protodioscin | C51H84O22 | 1048.54542437 | Solanum tuberosum |
C00003648 | 57-88-5 | Cholesterol | C27H46O | 386.35486609 | Solanum tuberosum |
C00003650 | 469-38-5 | Cycloartenol | C30H50O | 426.38616622 | Solanum tuberosum |
C00003659 | 481-25-4 | Lophenol | C28H48O | 400.37051615 | Solanum tuberosum |
C00003672 | 83-46-5 | beta-Sitosterol | C29H50O | 414.38616622 | Solanum tuberosum L. |
C00003674 | 83-48-7 | Stigmasterol | C29H48O | 412.37051615 | Solanum tuberosum |
C00003760 | 640-03-9 | Antheraxanthin | C40H56O3 | 584.42294565 | Solanum tuberosum |
C00003776 | 127-40-2 | Lutein | C40H56O2 | 568.42803103 | Solanum tuberosum |
C00003780 | 14660-91-4 | Neoxanthin | C40H56O4 | 600.41786028 | Solanum tuberosum |
C00003787 | 126-29-4 | Violaxnathin | C40H56O4 | 600.41786028 | Solanum tuberosum |
C00005230 | 93098-79-4 | Kaempferol 3-sophoroside-7-rhamnoside | C33H40O20 | 756.21129372 | Solanum tuberosum |
C00005258 | 50906-48-4 | Kaempferol 3-sophorotrioside-7-rhamnoside | C39H50O25 | 918.26411715 | Solanum tuberosum |
C00005373 | 482-35-9 | Quercetin-3-O-glucoside | C21H20O12 | 464.09547611 | Solanum tuberosum L. |
C00005413 | 153-18-4 | Rutin | C27H30O16 | 610.15338491 | Solanum tuberosum L. |
C00005454 | 55696-55-4 | Quercetin 3-(2G-glucosylrutinoside) | C33H40O21 | 772.20620834 | Solanum tuberosum |
C00006614 | 13306-05-3 | Cyanidin | C15H11O6+ | 287.05556308 | Solanum tuberosum subsp. Andigena |
C00006789 | 202335-29-3 | Pelargonidin 3-(4'''-p-coumarylrutinoside)-5-glucoside | C42H47O21 | 887.26098357 | Solanum andigena x Solanum tuberosum |
C00006855 | 135558-27-9 | Cyananin | C42H47O22 | 903.25589819 | Solanum tuberosum |
C00006873 | 151901-91-6 | Peonanin | C43H49O22 | 917.27154825 | Solanum tuberosum |
C00006874 | 704210-28-6 | Peonidin 3-caffeylrutinoside-5-glucoside | C43H49O23 | 933.26646288 | Solanum tuberosum |
C00006893 | 28463-30-1,108266-61-1 | Violanin | C42H47O23 | 919.25081281 | Solanum tuberosum |
C00006897 | 69896-02-2 | Petunidin 3-(4'''-p-coumarylrutinoside) | C37H39O18 | 771.21363945 | Solanum tuberosum |
C00006900 | 69915-09-9 | Petanin | C43H49O23 | 933.26646288 | Solanum tuberosum |
C00007232 | 134-04-3 | Pelargonidin | C15H11O5 | 271.06064846 | Solanum tuberosum subsp. Andigena |
C00007247 | 463-40-1 | Linolenic acid | C18H30O2 | 278.2245802 | Solanum tuberosum |
C00007288 | 17989-41-2 | Glycerol-3-phosphate | C3H9O6P | 172.01367451 | Solanum tuberosum |
C00007320 | 1176-52-9 | 24-Methylenelophenol | C29H48O | 412.37051615 | Solanum tuberosum L. |
C00007321 | 474-40-8 | 24-Ethylidenelophenol | C30H50O | 426.38616622 | Solanum tuberosum |
C00007376 | 519-62-0 | Chlorophyll b | C55H70MgN4O6 | 906.51457787 | Solanum tuberosum |
C00007423 | 1002-84-2 | Pentadecanoic acid | C15H30O2 | 242.2245802 | Solanum tuberosum |
C00007426 | 506-12-7 | Heptadecanoic acid | C17H34O2 | 270.25588033 | Solanum tuberosum |
C00007453 | 33880-83-0 | beta-Elemene | C15H24 | 204.18780077 | Solanum tuberosum |
C00009684 | 41347-45-9 | Tuberosin | C20H18O5 | 338.11542369 | Solanum tuberosum |
C00013243 | 31316-42-4 | Rishitinol | C15H22O2 | 234.16197995 | Solanum tuberosum |
C00014829 | 303115-58-4 | Malvidin 3-O-(6-O-(4-O-feruloyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)-5-beta-glucopyranoside | C45H53O24 | 977.29267763 | Solanum tuberosum |
C00014853 | 202335-30-6 | Pelargonidin 3-(4'''-feruloylrutinoside)-5-glucoside | C43H49O22 | 917.27154825 | Solanum andigena x Solanum tuberosum |
C00014855 | 232617-23-1 | Petunidin 3-O-[6-O-(4-O-(E)-caffeoyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside | C43H49O24 | 949.2613775 | Solanum tuberosum |
C00014862 | 303115-57-3 | Petunidin 3-O-[6-O-(4-O-(4-O-(beta-D-glucopyranosyl)-feruloyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]- 5-O-[beta-D-glucopyranoside] | C44H51O24 | 963.27702756 | Solanum tuberosum |
C00020647 | 643-84-5 | Malvidin | C17H15O7 | 331.08177783 | Solanum tuberosum subsp. Andigena |
C00022977 | 4339-77-9 | 3-hydroxyechinenone | C40H54O2 | 566.41238097 | Solanum tuberosum |
C00025334 | 66648-43-9 | N-trans-feruloyltyramine | C18H19NO4 | 313.1314081 | Solanum tuberosum |
C00025533 | 511-98-8 | Soladulcidine | C27H45NO2 | 415.34502969 | Solanum tuberosum |
C00028433 | 75288-96-9 | 1,14-Bis(dihydrocaffeoyl)spermine | C28H42N4O6 | 530.3104351 | ASolanum tuberosum |
C00028433 | 75288-96-9 | 1,14-Bis(dihydrocaffeoyl)spermine | C28H42N4O6 | 530.3104351 | Solanum tuberosum |
C00029422 | 112-92-5 | Octadecan-1-ol | C18H38O | 270.29226583 | Solanum tuberosum |
C00029531 | 121-33-5 | 4-Hydroxy-3-methoxybenzaldehyde | C8H8O3 | 152.04734412 | Solanum tuberosum |
C00029540 | 905-99-7 | Cryptochlorogenic acid | C16H18O9 | 354.09508217 | Solanum tuberosum |
C00029961 | 621-82-9 | Cinnamic acid | C9H8O2 | 148.0524295 | Solanum tuberosum |
C00030152 | 112-53-8 | Dodecan-1-ol | C12H26O | 186.19836545 | Solanum tuberosum |
C00030409 | 123-94-4 | 2,3-Dihydroxypropyl octadecanoate | C21H42O4 | 358.30830983 | Solanum tuberosum |
C00030470 | 629-94-7 | Heneicosane | C21H44 | 296.3443014 | Solanum tuberosum |
C00030471 | 593-49-7 | Heptacosane | C27H56 | 380.43820179 | Solanum tuberosum |
C00030764 | 54522-52-0 | Methylprotodioscin | C52H86O22 | 1062.56107443 | Solanum tuberosum |
C00030805 | 661-19-8 | 1-Docosanol | C22H46O | 326.35486609 | Solanum tuberosum |
C00030807 | 906-33-2 | Neochlorogenic acid | C16H18O9 | 354.09508217 | Solanum tuberosum |
C00030829 | 112-05-0 | Pelargonic acid | C9H18O2 | 158.13067982 | Solanum tuberosum |
C00030958 | 629-99-2 | n-Pentacosane | C25H52 | 352.40690166 | Solanum tuberosum |
C00032409 | 638-67-5 | n-Tridecane | C23H48 | 324.37560153 | Solanum tuberosum |
C00033964 | 97-65-4 | Itaconic acid | C5H6O4 | 130.02660868 | Solanum tuberosum |
C00034185 | 36413-60-2 | Quinic acid | C7H12O6 | 192.06338812 | Solanum tuberosum |
C00034311 | 506-51-4 | Tetracosanol | C24H50O | 354.38616622 | Solanum tuberosum |
C00034454 | 472-51-5 | beta-Chaconine | C39H63NO10 | 705.44519724 | Solanum tuberosum |
C00034457 | 61877-94-9 | beta-Solanine | C39H63NO11 | 721.44011186 | Solanum tuberosum |
C00034521 | 511-36-4 | gamma-Chaconine | C33H53NO6 | 559.38728843 | Solanum tuberosum |
C00034522 | 511-37-5 | gamma-Solanine | C33H53NO6 | 559.38728843 | Solanum tuberosum |
C00034649 | 57-83-0 | Progesterone | C21H30O2 | 314.2245802 | Solanum tuberosum |
C00034850 | 133-42-6 | Gluconic acid | C6H12O7 | 196.05830274 | Solanum tuberosum |
C00034859 | 77182-80-0 | Hentriacontan-8-one | C31H62O | 450.4800666 | Solanum tuberosum |
C00034883 | 31721-25-2 | Nonacosan-8-one | C29H58O | 422.44876647 | Solanum tuberosum |
C00034909 | 261173-02-8 | Tritriacontan-10-one | C33H66O | 478.51136673 | Solanum tuberosum |
C00034910 | 73213-29-3 | Tritriacontan-12-one | C33H66O | 478.51136673 | Solanum tuberosum |
C00034911 | 874748-79-5 | Tritriacontan-14-one | C33H66O | 478.51136673 | Solanum tuberosum |
C00034912 | 15740-35-9 | Tritriacontan-16-one | C33H66O | 478.51136673 | Solanum tuberosum |
C00034913 | 874748-78-4 | Tritriacontan-8-one | C33H66O | 478.51136673 | Solanum tuberosum |
C00035094 | 629-96-9 | Eicosan-1-ol | C20H42O | 298.32356596 | Solanum tuberosum |
C00035114 | 506-46-7 | Hexacosanoic acid | C26H52O2 | 396.3967309 | Solanum tuberosum |
C00035344 | 66648-44-0 | N-cis-Feruloyloctopamine | C18H19NO5 | 329.12632272 | Solanum tuberosum |
C00037562 | 97-31-4 | Normetanephrine | C9H13NO3 | 183.08954329 | Solanum tuberosum L. |
C00040805 | 19356-17-3 | 25-Hydroxyvitamin D3 | C27H44O2 | 400.33413065 | Solanum tuberosum |
C00041217 | 67-97-0 | Vitamin D3 | C27H44O | 384.33921603 | Solanum tuberosum |
C00042063 | 542-44-9 | 2,3-Dihydroxypropyl hexadecanoate | C19H38O4 | 330.2770097 | Solanum tuberosum |
C00045634 | 123-99-9 | Azelaic acid | C9H16O4 | 188.104859 | Solanum tuberosum |
C00050430 | 62724-30-0 | Ascorbic acid | C6H8O6 | 176.03208799 | Solanum tuberosum |
C00050441 | 3458-28-4 | D-Mannose | C6H12O6 | 180.06338812 | Solanum tuberosum |
C00051531 | 506-50-3 | Triacontanoic acid | C30H60O2 | 452.45933116 | Solanum tuberosum |
C00051539 | 498-24-8 | Mesaconic acid | C5H6O4 | 130.02660868 | Solanum tuberosum |
C00051638 | 506-48-9 | Octacosanoic acid | C28H56O2 | 424.42803103 | Solanum tuberosum |
C00052377 | 10030-73-6 | Palmitelaidic acid | C16H30O2 | 254.2245802 | Solanum tuberosum |
C00052572 | 36653-82-4 | 1-Hexadecanol | C16H34O | 242.26096571 | Solanum tuberosum |
C00052959 | 13270-61-6 | Delphinidin | C15H11O7 | 303.05047771 | Solanum tuberosum subsp. Andigena |
C00053042 | 22309-13-3 | Chlorophyll a' | C55H72MgN4O5 | 892.53531331 | Solanum tuberosum |
C00053043 | 22309-14-4 | Chlorophyll b' | C55H70MgN4O6 | 906.51457787 | Solanum tuberosum |
C00053051 | 25429-38-3 | Coumaric acid | C9H8O3 | 164.04734412 | Solanum tuberosum |
C00053172 | 19272-90-3 | Ferulic acid amide | C10H11NO3 | 193.07389323 | Solanum tuberosum |
C00053304 | 2004-39-9 | Heptacosan-1-ol | C27H56O | 396.43311641 | Solanum tuberosum |
C00053866 | 2433-96-7 | Tricosanoic acid | C23H46O2 | 354.34978071 | Solanum tuberosum |
C00053953 | 591-78-6 | Butyl methyl ketone | C6H12O | 100.08881501 | Solanum tuberosum |
C00054737 | 1260102-08-6 | 8-O-4/8-5-Cyclic dehydrotriferuloyltyramine | C54H53N3O12 | 935.36292418 | Solanum tuberosum |
C00054923 | 64161-55-3 | Barogenin | C27H42O4 | 430.30830983 | Solanum tuberosum |
C00055136 | 78513-80-1 | 3beta-Allosolanidan-3-ol | C27H45NO | 399.35011507 | Solanum tuberosum |
C00055623 | 103963-71-9 | 2-Hydroxydecanedioic acid | C10H18O5 | 218.11542369 | Solanum tuberosum |
C00055682 | 99-94-5 | 4-Methylbenzoic acid | C8H8O2 | 136.0524295 | Solanum tuberosum |
C00055734 | 142287-76-1 | beta1-Solanine | C39H63NO10 | 705.44519724 | Solanum tuberosum |
C00055735 | 469-14-7 | beta2-Chaconine | C39H63NO10 | 705.44519724 | Solanum tuberosum |
C00055773 | 30430-49-0 | cis-beta-Carotene | C40H56 | 536.43820179 | Solanum tuberosum |
C00055844 | 23676-09-7 | Ethyl 4-ethoxybenzoate | C11H14O3 | 194.09429431 | Solanum tuberosum |
C00055934 | 108529-23-3 | Immunogen | C35H56O8 | 604.39751876 | Solanum tuberosum |
C00056001 | 55760-27-5 | N-Dihydrocaffeoylputrescine | C13H20N2O3 | 252.14739252 | Solanum tuberosum |
C00056004 | 859341-33-6 | N1,N4,N12-tris(dihydrocaffeoyl)spermine | C37H50N4O9 | 694.35777923 | Solanum tuberosum |
C00056012 | 6624-76-6 | Nonacosan-1-ol | C29H60O | 424.46441654 | Solanum tuberosum |
C00056075 | 18736-36-2 | Peonidin | C16H13O6 | 301.07121315 | Solanum tuberosum subsp. Andigena |
C00056076 | 13270-60-5 | 2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium(1+) | C16H13O7+ | 317.06612777 | Solanum tuberosum subsp. Andigena |
C00057209 | 197247-23-7 | 4-Oxo-5-(2-pentenyl)-2-cyclopentene-1-hexanoic acid | C16H24O3 | 264.17254463 | Solanum tuberosum |
C00057899 | 147545-38-8 | Tuberonone | C15H24O2 | 236.17763001 | Solanum tuberosum |
C00057962 | 169565-72-4 | cis-Zeatin 9-glucoside | C16H23N5O6 | 381.1648335 | Solanum tuberosum |
C00058133 | 54878-25-0 | 1(10),11-Spirovetivadien-2-one | C15H22O | 218.16706532 | Solanum tuberosum |