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 c1(cc(c2c(c1)O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)OC(=O)/C=C\c1cc(c(cc1)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeCinnamomum obtusifolium Ref.
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