input word = C00005962

Metabolite InformationStructural formula
Name Quercetin 3-(6''-ferulylglucoside)
Formula C31H28O15
Mw 640.14282023
CAS RN 153874-56-7
C_ID C00005962 ,
InChIKey PSBFVXDMNYDZMV-DCDFNHLCNA-N
InChICode InChI=1S/C31H28O15/c1-42-20-8-13(2-5-17(20)34)3-7-23(37)43-12-22-25(38)27(40)28(41)31(45-22)46-30-26(39)24-19(36)10-15(32)11-21(24)44-29(30)14-4-6-16(33)18(35)9-14/h2-11,22,25,27-28,31-36,38,40-41H,12H2,1H3/b7-3+/t22-,25-,27+,28+,31+/m1/s1
SMILES COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaeLarix decidua Ref.
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