input word = C00008848

Metabolite InformationStructural formula
Name Catechin 5-O-(2-feruloyl-6-p-coumaroyl-beta-D-glucopyranoside)
Formula C40H38O16
Mw 774.21598517
CAS RN 103215-60-7
C_ID C00008848 ,
InChIKey DFZHDDNFAQXALN-QWEQKNAVNA-N
InChICode InChI=1S/C40H38O16/c1-51-32-14-21(4-10-27(32)44)6-13-35(48)56-39-37(50)36(49)33(19-52-34(47)12-5-20-2-8-23(41)9-3-20)55-40(39)54-31-17-24(42)16-30-25(31)18-29(46)38(53-30)22-7-11-26(43)28(45)15-22/h2-17,29,33,36-46,49-50H,18-19H2,1H3/b12-5+,13-6+/t29-,33+,36+,37-,38+,39-,40+/m0/s1
SMILES COc1cc(/C=C/C(=O)OC2[C@H](Oc3cc(O)cc4c3C[C@H](O)[C@@H](c3ccc(O)c(O)c3)O4)OC(COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeCinnamomum obtusifolium Ref.
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OrganismCinnamomum obtusifolium
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Morimoto,Chem.Pharm.Bull.,34,(1986),643