C_ID |
CAS ID |
Metabolite |
Molecular formula |
Mw | Organism |
C00000152 | 7400-08-0 | p-Coumaric acid | C9H8O3 | 164.04734412 | Citrus paradisi |
C00000170 | 140-10-3 | Cinnamate | C9H8O2 | 148.0524295 | Citrus paradisi |
C00000184 | 2867-05-2 | alpha-Thujene | C10H16 | 136.12520051 | Citrus paradisi |
C00000357 | 66-25-1 | Hexanal | C6H12O | 100.08881501 | Citrus paradisi |
C00000358 | 111-27-3 | Hexan-1-ol | C6H14O | 102.10446507 | Citrus paradisi |
C00000575 | 484-20-8 | Bergaptan | C12H8O4 | 216.04225874 | Citrus paradisi |
C00000581 | 486-60-2 | Bergaptol | C11H6O4 | 202.02660868 | Citrus paradisi |
C00000583 | 482-27-9 | Isopimpinellin | C13H10O5 | 246.05282343 | Citrus paradisi |
C00000584 | 13849-08-6 | (+)-Marmesin | C14H14O4 | 246.08920894 | Citrus paradisi |
C00000805 | 80-56-8 | (+)-alpha-Pinene | C10H16 | 136.12520051 | Citrus paradisi |
C00000816 | 127-91-3 | beta-Pinene | C10H16 | 136.12520051 | Citrus paradisi |
C00000823 | 138-86-3 | Limonene | C10H16 | 136.12520051 | Citrus paradisi |
C00000843 | 3338-55-4 | (Z)-beta-Ocimene | C10H16 | 136.12520051 | Citrus paradisi |
C00000853 | 123-35-3 | beta-Myrcene | C10H16 | 136.12520051 | Citrus paradisi |
C00000855 | 106-25-2 | Nerol | C10H18O | 154.1357652 | Citrus paradisi |
C00000861 | 586-62-9 | alpha-Terpinolene | C10H16 | 136.12520051 | Citrus paradisi |
C00000983 | 10236-47-2 | Naringin | C27H32O14 | 580.17920573 | Citrus paradisi |
C00001418 | 120-72-9 | Indole | C8H7N | 117.05784923 | Citrus paradisi |
C00001492 | 58-08-2 | Caffeine | C8H10N4O2 | 194.08037559 | Citrus paradisi |
C00001509 | 83-67-0 | Theobromine | C7H8N4O2 | 180.06472553 | Citrus paradisi |
C00001510 | 58-55-9 | Theophylline | C7H8N4O2 | 180.06472553 | Citrus paradisi |
C00002488 | 484-12-8 | Osthol | C15H16O3 | 244.10994438 | Citrus paradisi |
C00002490 | 737-52-0 | Oxypeucedanin | C16H14O5 | 286.08412356 | Citrus paradisi |
C00002503 | 93-35-6 | Umbelliferone | C9H6O3 | 162.03169406 | Citrus paradisi |
C00002644 | 120-80-9 | Pyrocatechin | C6H6O2 | 110.03677944 | Citrus paradisi |
C00002663 | 60-12-8 | 2-Phenylethyl alcohol | C8H10O | 122.07316494 | Citrus paradisi |
C00002780 | 501-13-3 | Feruloylputrescine | C14H20N2O3 | 264.14739252 | Citrus paradisi |
C00003035 | 141-27-5 | trans-Citral | C10H16O | 152.12011513 | Citrus paradisi |
C00003040 | 99-87-6 | p-Cymene | C10H14 | 134.10955045 | Citrus paradisi |
C00003047 | 78-70-6 | linalool | C10H18O | 154.1357652 | Citrus paradisi |
C00003061 | 99-85-4 | gamma-Terpinene | C10H16 | 136.12520051 | Citrus paradisi |
C00003110 | 87-44-5 | beta-Caryophyllene | C15H24 | 204.18780077 | Citrus paradisi |
C00003131 | 18794-84-8 | trans-beta-Farnesene | C15H24 | 204.18780077 | Citrus paradisi |
C00003147 | 6753-98-6 | alpha-Caryophyllene (obsol.) | C15H24 | 204.18780077 | Citrus paradisi |
C00003166 | 142-50-7 | Nerolidol | C15H26O | 222.19836545 | Citrus paradisi |
C00003189 | 3779-62-2 | beta-Sinensal | C15H22O | 218.16706532 | Citrus paradisi |
C00003467 | 150-86-7 | Phytol | C20H40O | 296.3079159 | Citrus paradisi |
C00003722 | 1063-77-0 | Nomilin | C28H34O9 | 514.22028269 | Citrus paradisi L. |
C00003770 | 24480-38-4 | alpha-Cryptoxanthin | C40H56O | 552.43311641 | Citrus paradisi |
C00003912 | 17290-70-9 | Isosinensetin | C20H20O7 | 372.12090299 | Citrus paradisi |
C00004156 | 552-57-8 | Apigenin 7-O-rutinoside | C27H30O14 | 578.16355567 | Citrus paradisi |
C00004804 | 1178-24-1 | 3,3',4',5,6,7,8-Heptamethoxyflavone | C22H24O9 | 432.14203237 | Citrus paradisi |
C00007242 | 495-61-4 | (S)-beta-Bisabolene | C15H24 | 204.18780077 | Citrus paradisi |
C00007258 | 85-61-0 | 4-Coumaroyl CoA | C21H36N7O16P3S | 767.11520836 | Citrus paradisi |
C00007280 | 30802-00-7 | p-Coumaroyl CoA | C30H42N7O18P3S | 913.15198779 | Citrus paradisi |
C00007453 | 33880-83-0 | beta-Elemene | C15H24 | 204.18780077 | Citrus paradisi |
C00007630 | 20307-83-9 | beta-Sesquiphellandrene | C15H24 | 204.18780077 | Citrus paradisi |
C00008530 | 139934-59-1 | Naringin 6''-malonate | C30H34O17 | 666.17959966 | Citrus paradisi |
C00010325 | 14049-11-7 | Linalool oxide | C10H18O2 | 170.13067982 | Citrus paradisi |
C00010335 | 60047-17-8 | Linalyl oxide | C10H18O2 | 170.13067982 | Citrus paradisi |
C00010883 | 99-48-9 | Carveol | C10H16O | 152.12011513 | Citrus paradisi |
C00012755 | 86917-82-0 | (4aR-cis)-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethylidene)-2(1H)-naphthalenone | C15H22O | 218.16706532 | Citrus paradisi |
C00012756 | 86941-63-1 | [4aR-(4aalpha,6beta,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone | C15H22O | 218.16706532 | Citrus paradisi |
C00012757 | 86917-81-9 | [4aS-(4aalpha,6alpha,8abeta)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone | C15H22O | 218.16706532 | Citrus paradisi |
C00012758 | 86917-80-8 | [4aS-(4aalpha,6alpha,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone | C15H22O | 218.16706532 | Citrus paradisi |
C00016987 | 4674-50-4 | (+)-Nootkatone | C15H22O | 218.16706532 | Citrus paradisi L. |
C00019560 | 64-17-5 | Ethanol | C2H6O | 46.04186481 | Citrus paradisi |
C00019801 | 123672-84-4 | Bisosthenon | C28H24O8 | 488.14711774 | Citrus paradisi |
C00019980 | 149301-45-1 | Neoacrimarine A | C40H43NO9 | 681.29378198 | Citrus paradisii x Citrus tangerina |
C00024218 | 160927-88-8 | (-)-Marshmine | C20H21NO5 | 355.14197279 | Citrus paradisi |
C00024219 | 217199-07-0 | (-)-Neoacrimarine-I | C29H25NO9 | 531.15293141 | Citrus paradisi |
C00024220 | 217199-08-1 | (-)-Neoacrimarine-J | C28H23NO9 | 517.13728134 | Citrus paradisi |
C00024221 | 158182-13-9 | (-)-Neoacrimarine-E | C35H35NO9 | 613.23118172 | Citrus paradisi |
C00024221 | 158182-13-9 | (-)-Neoacrimarine-E | C35H35NO9 | 613.23118172 | Citrus paradisii x Citrus tangerina |
C00024224 | 195057-36-4 | (+)-Neoacrimarine-F | C29H25NO9 | 531.15293141 | Citrus paradisi x Citrus tangerina |
C00024225 | 195057-37-5 | (+)-Neoacrimarine-G | C29H25NO8 | 515.15801678 | Citrus paradisi |
C00024226 | 217199-06-9 | (+)-Neoacrimarine-H | C33H29NO8 | 567.18931691 | Citrus paradisi |
C00024236 | 207735-02-2 | Bis-5-hydroxynoracronycine | C38H34N2O8 | 646.23151608 | Citrus paradisi |
C00024246 | 227596-37-4 | Citbismine-F | C36H34N2O10 | 654.22134532 | Citrus paradisi |
C00024247 | 81525-61-3 | Citracridone-I | C20H19NO5 | 353.12632273 | Citrus paradisi |
C00024254 | 161161-72-4 | Furoparadine | C17H13NO5 | 311.07937253 | Citrus paradisi |
C00024259 | 82354-36-7 | Glycocitrine-I | C20H21NO4 | 339.14705817 | Citrus paradisi |
C00024261 | 87959-95-3 | Grandisinine | C21H23NO5 | 369.15762285 | Citrus paradisi |
C00024264 | 160927-87-7 | Marshdine | C16H13NO5 | 299.07937253 | Citrus paradisi |
C00024265 | 96910-78-0 | Natsucitrine-II | C16H15NO5 | 301.0950226 | Citrus paradisi |
C00024266 | 217199-09-2 | Neoacrimarine-K | C31H29NO9 | 559.18423153 | Citrus paradisi |
C00029350 | 28973-97-9 | (Z)-Farnesene | C15H24 | 204.18780077 | Citrus paradisi |
C00029544 | 562-74-3 | Terpin-1-en-4-ol | C10H18O | 154.1357652 | Citrus paradisi |
C00029674 | 98-55-5 | alpha-Terpineol | C10H18O | 154.1357652 | Citrus paradisi |
C00029763 | 495-02-3 | Aurapten | C19H22O3 | 298.15689457 | Citrus paradisi |
C00030108 | 21422-04-8 | Demethylsuberosin | C14H14O3 | 230.09429431 | Citrus paradisi |
C00031258 | 3387-41-5 | Sabinene | C10H16 | 136.12520051 | Citrus paradisi |
C00034452 | 100-52-7 | Benzaldehyde | C7H6O | 106.04186481 | Citrus paradisi |
C00034600 | 134-20-3 | Methyl anthranilate | C8H9NO2 | 151.06332854 | Citrus paradisi |
C00034775 | 110-93-0 | 6-Methyl-5-hepten-2-one | C8H14O | 126.10446507 | Citrus paradisi |
C00034989 | 27400-72-2 | (E)-Ocimene | C10H16 | 136.12520051 | Citrus paradisi |
C00035823 | 106-23-0 | Citronellal | C10H18O | 154.1357652 | Citrus paradisi |
C00037483 | 14957-38-1 | Marmin | C19H24O5 | 332.16237388 | Citrus paradisi |
C00039930 | 611-59-6 | Paraxanthine | C7H8N4O2 | 180.06472553 | Citrus paradisi |
C00040822 | 1999-06-9 | 3-Hydroxybenzoic acid | C7H6O3 | 138.03169406 | Citrus paradisi |
C00041609 | 751-28-0 | Isoobacunoic acid | C26H32O8 | 472.209718 | Citrus paradisii |
C00041703 | 35930-20-2 | Nomilinic acid | C28H36O10 | 532.23084737 | Citrus paradisi L. |
C00046607 | 644-30-4 | alpha-Curcumene | C15H22 | 202.1721507 | Citrus paradisi |
C00047681 | 145414-76-2 | 6',7'-Dihydroxybergamottin | C21H24O6 | 372.1572885 | Citrus paradisi |
C00047682 | 1181223-79-9 | 6',7'-Dihydroxybergamottin octanal acetal | C29H40O6 | 484.28248901 | Citrus paradisi |
C00047753 | 7380-40-7 | Bergamottin | C21H22O4 | 338.15180919 | Citrus paradisi |
C00048263 | 90973-78-7 | 2,6-Dimethyl-1,3,5,7-octatetraene | C10H14 | 134.10955045 | Citrus paradisi |
C00048304 | 67-64-1 | Acetone | C3H6O | 58.04186481 | Citrus paradisi |
C00048310 | 673-84-7 | 2,6-Dimethyl-2,4,6-octatriene | C10H16 | 136.12520051 | Citrus paradisi |
C00048315 | 1686-30-2 | alpha-Myrcene | C10H16 | 136.12520051 | Citrus paradisi |
C00048326 | 14029-4 | Benzene acetonitrile | C8H7N | 117.05784923 | Citrus paradisi |
C00048350 | 97-42-7 | Carvyl acetate | C12H18O2 | 194.13067982 | Citrus paradisi |
C00048480 | 99-06-9 | m-Hydroxybenzoic acid | C7H6O3 | 138.03169406 | Citrus paradisi |
C00048486 | 7216-56-0 | Neoalloocimene | C10H16 | 136.12520051 | Citrus paradisi |
C00048498 | 103-70-8 | n-Phenylformamide | C7H7NO | 121.05276385 | Citrus paradisi |
C00048529 | 546-79-2 | Sabinene hydrate | C10H18O | 154.1357652 | Citrus paradisi |
C00051328 | 55051-72-4 | Lophopterol | C15H16O5 | 276.09977362 | Citrus paradisi x Citrus tangerina |
C00052062 | 185417-68-9 | (-)-Margrapine A | C21H23NO7 | 401.1474521 | Citrus paradisi |
C00052063 | 185417-69-0 | (-)-Margrapine B | C22H25NO7 | 415.16310216 | Citrus paradisi |
C00052076 | 147395-90-2 | Acrimarine J | C35H33NO8 | 595.22061704 | Citrus paradisii x Citrus tangerina |
C00052236 | 161068-61-7 | Citbismine A | C35H32N2O10 | 640.20569526 | Citrus paradisi |
C00052237 | 169055-77-0 | Citbismine B | C36H34N2O11 | 670.21625994 | Citrus paradisi |
C00052238 | 173429-81-7 | Citbismine D | C40H38N2O11 | 722.24756007 | Citrus paradisi |
C00052239 | 173429-82-8 | Citbismine E | C36H34N2O11 | 670.21625994 | Citrus paradisi |
C00052240 | 81525-58-8 | Citpressine I | C16H15NO5 | 301.0950226 | Citrus paradisi |
C00052241 | 81525-59-9 | Citpressine II | C17H17NO5 | 315.11067266 | Citrus paradisi |
C00052247 | 131815-28-6 | Citropone C | C17H15NO6 | 329.08993722 | Citrus paradisi |
C00052297 | 145940-35-8 | Grandisine III | C15H13NO5 | 287.07937253 | Citrus paradisi |
C00052396 | 145940-36-9 | 1,6-Dihydroxy-3-methoxy-10-methylacridone | C15H13NO4 | 271.08445791 | Citrus grandis cv. May Pummelo x Citrus paradisi |
C00053039 | 206978-14-5 | Epoxybergamottin | C21H22O5 | 354.14672381 | Citrus paradisi |
C00053040 | 21499-17-2 | Epoxyaurapten | C19H22O4 | 314.15180919 | Citrus paradisi |
C00053431 | 35997-39-8 | Lilac alcohol | C10H18O2 | 170.13067982 | Citrus paradisi |
C00054133 | 175923-63-4 | Clausarinol | C24H30O6 | 414.20423869 | Citrus paradisi X Citrus tangerina |
C00054286 | 1181223-78-8 | 6',7'-Decylidenemarmin | C29H42O5 | 470.30322445 | Citrus paradisi |
C00054395 | 125107-16-6 | Deacetylnomilinate 17-glucoside | C32H46O15 | 670.2836708 | Citrus paradisi |
C00054396 | 35930-21-3 | Deacetylnomilinic acid | C26H34O9 | 490.22028269 | Citrus paradisi |
C00054444 | 5980-07-4 | Citrusal | C15H16O4 | 260.104859 | Citrus paradisi |
C00054900 | 5090-63-1 | 8,9-Dehydronootkatone | C15H20O | 216.15141526 | Citrus paradisi |
C00055292 | 1181223-80-2 | 6',7'-Dihydroxybergamottin decanal acetal | C31H42O6 | 510.29813907 | Citrus paradisi |
C00055348 | 150050-14-9 | Azacridone A | C18H16N2O3 | 308.11609239 | Citrus paradisi |
C00055349 | 169055-79-2 | Citbismine C | C37H36N2O11 | 684.23191001 | Citrus paradisi |
C00056729 | 125225-95-8 | Isoobacunoic acid 17-O-beta-D-glucoside | C32H44O14 | 652.27310612 | Citrus paradisii |
C00056733 | 125276-03-1 | Epiisoobacunoic acid 17-O-beta-D-glucoside | C32H44O14 | 652.27310612 | Citrus paradisii |
C00056982 | 125107-17-7 | Obacunoic acid 17-glucoside | C32H44O14 | 652.27310612 | Citrus paradisii |
C00057006 | 127644-15-9 | trans-Obacunoic acid 17-glucoside | C32H44O14 | 652.27310612 | Citrus paradisii |
C00057214 | 198343-05-4 | Paradisin A | C42H46O11 | 726.30401231 | Citrus paradisi |
C00057215 | 198343-06-5 | Paradisin B | C42H44O10 | 708.29344763 | Citrus paradisi |
C00058175 | 679835-33-7 | 1,3,5-Trihydroxy-10-methylacridone | C14H11NO4 | 257.06880785 | Citrus paradisi x Citrus tangerina |
C00058602 | 192189-93-8 | Marshdimerin | C48H54O8 | 758.3818687 | Citrus paradisi |