input word = C00004164

Metabolite InformationStructural formula
Name Apigenin 7-glucuronide-4'-rhamnoside
Formula C27H28O15
Mw 592.14282023
CAS RN 58970-78-8
C_ID C00004164 ,
InChIKey IYSVAHHNEAGSMC-LMRYZCCHNA-N
InChICode InChI=1S/C27H28O15/c1-9-18(30)19(31)22(34)26(38-9)39-11-4-2-10(3-5-11)15-8-14(29)17-13(28)6-12(7-16(17)41-15)40-27-23(35)20(32)21(33)24(42-27)25(36)37/h2-9,18-24,26-28,30-35H,1H3,(H,36,37)/t9-,18-,19+,20+,21-,22-,23-,24+,26-,27+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)O)O[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConocephalaceaeConocephalum conicum Ref.
zoom in