input word = C00019727

Metabolite InformationStructural formula
Name (3R)-7,2',5'-Trihydroxy-3',4'-dimethoxyisoflavan 2',5'-O-diglucoside
Formula C29H38O16
Mw 642.21598517
CAS RN 137217-85-7
C_ID C00019727 ,
InChIKey SRVGYVIWVOOXQO-GUHOWMQINA-N
InChICode InChI=1S/C29H38O16/c1-39-26-16(42-28-23(37)21(35)19(33)17(8-30)43-28)7-14(12-5-11-3-4-13(32)6-15(11)41-10-12)25(27(26)40-2)45-29-24(38)22(36)20(34)18(9-31)44-29/h3-4,6-7,12,17-24,28-38H,5,8-10H2,1-2H3/t12-,17+,18-,19-,20-,21-,22-,23+,24-,28+,29-/m0/s1
SMILES COc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc([C@@H]2COc3cc(O)ccc3C2)c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus mongholicus Ref.
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OrganismAstragalus mongholicus
ReferenceSubarnas,Phytochem.,30,(1991),2777