input word = C00006059

Metabolite InformationStructural formula
Name Hexandraside B
Formula C41H52O21
Mw 880.30010873
CAS RN 128988-54-5
C_ID C00006059 ,
InChIKey SCGIMZSPRPPEMA-VWFHURKDNA-N
InChICode InChI=1S/C41H52O21/c1-15(2)6-11-20-22(57-39-32(51)30(49)27(46)23(13-42)58-39)12-21(44)25-29(48)38(35(60-36(20)25)18-7-9-19(54-5)10-8-18)62-41-34(53)37(26(45)16(3)56-41)61-40-33(52)31(50)28(47)24(59-40)14-55-17(4)43/h6-10,12,16,23-24,26-28,30-34,37,39-42,44-47,49-53H,11,13-14H2,1-5H3/t16-,23-,24-,26-,27+,28-,30-,31-,32+,33+,34-,37+,39+,40-,41-/m0/s1
SMILES COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O[C@@H]3O[C@@H](COC(C)=O)[C@H](O)C(O)C3O)[C@@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeVancouveria hexandra Ref.
--Vancouvaria hexandra Ref.
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OrganismVancouveria hexandra
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Mizuno,Phytochem.,29,(1990),1277