input word = C00020685

Metabolite InformationStructural formula
Name Leucocyanidin 4',7-dimethylether 3-O-rutinoside
Formula C29H38O16
Mw 642.21598517
CAS RN 98570-75-3
C_ID C00020685 ,
InChIKey JZCGMIVWVSGUED-DEQITKTENA-N
InChICode InChI=1S/C29H38O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-15(40-3)13(30)6-11/h4-8,10,17,19-38H,9H2,1-3H3/t10-,17+,19-,20+,21-,22-,23-,24-,25+,26+,27+,28+,29-/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@@H]([C@H]2O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1ccc(c(c1)O)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSenna septemtrionalis Ref.
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OrganismSenna septemtrionalis
ReferenceSingh,J. Nepal Chem. Soc.,1,(1981),68