input word = C00013791

Metabolite InformationStructural formula
Name Kaempferol 3-(4'',6''-diacetylglucoside)-7-rhamnoside
7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-[(4,6-di-O-acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- 4H-1-benzopyran-4-one
Formula C31H34O17
Mw 678.17959966
CAS RN 214351-81-2
C_ID C00013791 ,
InChIKey HBNFLLJEFIGGHR-YCRHWEEDNA-N
InChICode InChI=1S/C31H34O17/c1-11-21(36)23(38)25(40)30(43-11)45-16-8-17(35)20-18(9-16)46-27(14-4-6-15(34)7-5-14)29(22(20)37)48-31-26(41)24(39)28(44-13(3)33)19(47-31)10-42-12(2)32/h4-9,11,19,21,23-26,28,30-31,34-36,38-41H,10H2,1-3H3/t11-,19+,21+,23-,24+,25+,26-,28-,30+,31+/m1/s1
SMILES CC(=O)OCC1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)cc(O)c3c2=O)C(O)[C@@H](O)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium formosum Ref.
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