input word = C00004161

Metabolite InformationStructural formula
Name Apigenin 7-glucuronosyl-(1->2)-glucuronide
Formula C27H26O17
Mw 622.11699941
CAS RN 74696-01-8
C_ID C00004161 ,
InChIKey SJFTVAAHLRFBST-PQDYBWNMNA-N
InChICode InChI=1S/C27H26O17/c28-9-3-1-8(2-4-9)13-7-12(30)15-11(29)5-10(6-14(15)41-13)40-27-23(19(34)18(33)22(43-27)25(38)39)44-26-20(35)16(31)17(32)21(42-26)24(36)37/h1-7,16-23,26-29,31-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)C(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHydrocharitaceaeElodea canadensis Ref.
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