input word = C00005348

Metabolite InformationStructural formula
Name Herbacetin 7-rhamnoside-8-glucoside
Formula C27H30O16
Mw 610.15338491
CAS RN 94696-40-9
C_ID C00005348 ,
InChIKey CQFZDNWCTZWQSH-FWOHOWCGNA-N
InChICode InChI=1S/C27H30O16/c1-8-15(31)18(34)21(37)26(39-8)40-12-6-11(30)14-17(33)20(36)23(9-2-4-10(29)5-3-9)42-25(14)24(12)43-27-22(38)19(35)16(32)13(7-28)41-27/h2-6,8,13,15-16,18-19,21-22,26-32,34-38H,7H2,1H3/t8-,13+,15-,16+,18-,19-,21+,22+,26-,27-/m0/s1
SMILES C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeRhodiola rosea Ref.
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