input word = C00013988

Metabolite InformationStructural formula
Name 3,5,2'-Trihydroxy-7,8,4'-trimethoxyflavone 5-glucosyl-(1->2)-galactoside
5-[(2-O-beta-D-Glucopyranosyl-beta-D-galactopyranosyl)oxy]-3-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one
Formula C30H36O18
Mw 684.19016435
CAS RN 527704-25-2
C_ID C00013988 ,
InChIKey OQZJWEMBBHKFKJ-GIFMBMRSNA-N
InChICode InChI=1S/C30H36O18/c1-41-10-4-5-11(12(33)6-10)25-23(39)20(36)17-13(7-14(42-2)26(43-3)27(17)47-25)44-30-28(22(38)19(35)16(9-32)46-30)48-29-24(40)21(37)18(34)15(8-31)45-29/h4-7,15-16,18-19,21-22,24,28-35,37-40H,8-9H2,1-3H3/t15-,16-,18-,19+,21+,22+,24-,28+,29+,30-/m1/s1
SMILES c1(c(ccc(c1)OC)c1oc2c(c(=O)c1O)c(cc(c2OC)OC)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia occidentalis Ref.
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