input word = C00005831

Metabolite InformationStructural formula
Name Hexandraside D
Formula C39H50O19
Mw 822.29462942
CAS RN 137218-02-1
C_ID C00005831 ,
InChIKey LMZZWQKHDOVICB-IQLKUAPNNA-N
InChICode InChI=1S/C39H50O19/c1-14(2)6-11-19-21(54-38-31(49)29(47)26(44)22(13-40)55-38)12-20(41)23-27(45)36(33(56-34(19)23)17-7-9-18(51-5)10-8-17)58-39-32(50)35(25(43)16(4)53-39)57-37-30(48)28(46)24(42)15(3)52-37/h6-10,12,15-16,22,24-26,28-32,35,37-44,46-50H,11,13H2,1-5H3/t15-,16-,22+,24-,25-,26+,28-,29-,30+,31+,32-,35+,37-,38+,39-/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]3OC(C)[C@H](O)[C@H](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.,30,(1991),2765