input word = C00057507

Metabolite InformationStructural formula
Name Quercetin 3-(3-p-coumaroylglucoside)
Formula C30H26O14
Mw 610.13225554
CAS RN 70286-61-2
C_ID C00057507
InChIKey KKRGPGRSBFMOKP-IFPBDMCXSA-N
InChICode InChI=1S/C30H26O14/c31-12-21-24(38)28(43-22(37)8-3-13-1-5-15(32)6-2-13)26(40)30(42-21)44-29-25(39)23-19(36)10-16(33)11-20(23)41-27(29)14-4-7-17(34)18(35)9-14/h1-11,21,24,26,28,30-36,38,40H,12H2/b8-3+/t21-,24-,26-,28+,30+/m1/s1
SMILES OC1=C2C(OC(C3=CC=C(O)C(O)=C3)=C(O[C@H]4[C@H](O)[C@@H](OC(/C=C/C5=CC=C(O)C=C5)=O)[C@H](O)[C@@H](CO)O4)C2=O)=CC(O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus sylvestris Ref.
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