input word = C00005952

Metabolite InformationStructural formula
Name Quercetin 3-(6''-caffeylgalactoside)
Formula C30H26O15
Mw 626.12717016
CAS RN 84575-22-4
C_ID C00005952 ,
InChIKey IHBVMUCQCZEAPW-CSDONCCTNA-N
InChICode InChI=1S/C30H26O15/c31-14-9-19(36)23-20(10-14)43-28(13-3-5-16(33)18(35)8-13)29(25(23)39)45-30-27(41)26(40)24(38)21(44-30)11-42-22(37)6-2-12-1-4-15(32)17(34)7-12/h1-10,21,24,26-27,30-36,38,40-41H,11H2/b6-2+/t21-,24+,26-,27+,30+/m1/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeHydrocotyle sibthorpioides Ref.
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