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 c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)OC)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaeLarix decidua Ref.
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