input word = C00013956

Metabolite InformationStructural formula
Name Spinacetin 3-(2''-apiosylgentiobioside)
Quercetagetin 6,3'-dimethyl ether 3-(2''-apiosylgentiobioside)
3-[(O-D-Apio-beta-D-furanosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
Formula C34H42O22
Mw 802.21677303
CAS RN 195206-60-1
C_ID C00013956 ,
InChIKey NVYWCFHFPXGDKS-NWEDTTMINA-N
InChICode InChI=1S/C34H42O22/c1-48-14-5-11(3-4-12(14)37)26-28(22(42)18-15(52-26)6-13(38)27(49-2)21(18)41)55-32-29(56-33-30(46)34(47,9-36)10-51-33)24(44)20(40)17(54-32)8-50-31-25(45)23(43)19(39)16(7-35)53-31/h3-6,16-17,19-20,23-25,29-33,35-41,43-47H,7-10H2,1-2H3/t16-,17-,19+,20+,23+,24+,25-,29+,30-,31-,32+,33+,34+/m1/s1
SMILES c1c(cc(c(c1)O)OC)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@H]([C@](O)(CO)CO1)O)c(c(c(c2)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
zoom in