input word = C00020677

Metabolite InformationStructural formula
Name 3,5-Dihydroxy-3',4',7-trimethoxyflavone 3-O-[beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranoside]
Formula C30H36O17
Mw 668.19524973
CAS RN 69168-14-5
C_ID C00020677 ,
InChIKey HMCJLMJOIKHFMB-URZPKAJNNA-N
InChICode InChI=1S/C30H36O17/c1-40-12-7-13(33)19-16(8-12)43-26(11-4-5-14(41-2)15(6-11)42-3)28(21(19)35)47-30-25(39)23(37)27(18(10-32)45-30)46-29-24(38)22(36)20(34)17(9-31)44-29/h4-8,17-18,20,22-25,27,29-34,36-39H,9-10H2,1-3H3/t17-,18+,20-,22-,23-,24+,25+,27-,29-,30-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)O)O)c1ccc(c(c1)OC)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSenna septemtrionalis Ref.
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