input word = C00031858

Metabolite InformationStructural formula
Name Hirsutissimiside A
(-)-Hirsutissimiside A
Formononetin 7-O-n(6''-ethylmalonyl)-glucopyranoside
Formula C27H28O12
Mw 544.15807636
CAS RN 857843-06-2
C_ID C00031858 ,
InChIKey WBHHUJMFEZNDBL-YBVVAOIONA-N
InChICode InChI=1S/C27H28O12/c1-3-35-21(28)11-22(29)37-13-20-24(31)25(32)26(33)27(39-20)38-16-8-9-17-19(10-16)36-12-18(23(17)30)14-4-6-15(34-2)7-5-14/h4-10,12,20,24-27,31-33H,3,11,13H2,1-2H3/t20-,24+,25+,26-,27-/m1/s1
SMILES c1(ccc2c(c1)occ(c2=O)c1ccc(cc1)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CC(=O)OCC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia nitida var.hirsutissima Ref.
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