input word = C00005810

Metabolite InformationStructural formula
Name Hexandraside E
8-Prenylkaempferol 3,7-diglucoside
Noranhydroicaritin 3,7-diglucoside
3,4',5,7-Tetrahydroxy-8-(3-methyl-2-butenyl)flavone 3,7-diglucoside
3,7-Bis(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
Formula C32H38O16
Mw 678.21598517
CAS RN 139955-75-2
C_ID C00005810 ,
InChIKey SLUGZPRLJCECEX-OWOQMFTMNA-N
InChICode InChI=1S/C32H38O16/c1-12(2)3-8-15-17(44-31-26(42)24(40)21(37)18(10-33)45-31)9-16(36)20-23(39)30(28(47-29(15)20)13-4-6-14(35)7-5-13)48-32-27(43)25(41)22(38)19(11-34)46-32/h3-7,9,18-19,21-22,24-27,31-38,40-43H,8,10-11H2,1-2H3/t18-,19-,21+,22+,24+,25+,26-,27-,31-,32+/m1/s1
SMILES c1(cc(c2c(c1CC=C(C)C)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeVancouveria hexandra Ref.
PlantaeRutaceaePhellodendron amurense Ref.
--Vancouvaria hexandra Ref.
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