input word = C00013252

Metabolite InformationStructural formula
Name Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate
(2R,3R)-3-(Benzoyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-5-yl beta-D-glucopyranoside
Formula C28H28O12
Mw 556.15807636
CAS RN 323586-47-6
C_ID C00013252 ,
InChIKey BZAMUAIUOGNDPV-CLDLETAVNA-N
InChICode InChI=1S/C28H28O12/c29-12-22-23(33)24(34)25(35)28(40-22)39-20-10-15(30)9-19-16(20)11-21(38-27(36)13-4-2-1-3-5-13)26(37-19)14-6-7-17(31)18(32)8-14/h1-10,21-26,28-35H,11-12H2/t21-,22-,23+,24-,25-,26-,28+/m0/s1
SMILES c12c(cc(cc1O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O[C@H]([C@H](C2)OC(=O)c1ccccc1)c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus orbiculatus Ref.
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OrganismCelastrus orbiculatus
ReferenceHwang,J.Nat.Prod.,64,(2001),82