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CHEBI:186489 - Catechin 5-O-(2-feruloyl-6-p-coumaroyl-beta-D-glucopyranoside)

ChEBI IDCHEBI:186489
ChEBI NameCatechin 5-O-(2-feruloyl-6-p-coumaroyl-beta-D-glucopyranoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H38O16
Net Charge0
Average Mass774.728
Monoisotopic Mass774.21599
SMILESCOc1cc(/C=C/C(=O)OC2C(Oc3cc(O)cc4c3C[C@H](O)[C@@H](c3ccc(O)c(O)c3)O4)OC(COC(=O)/C=C/c3ccc(O)cc3)C(O)C2O)ccc1O
InChIInChI=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
InChIKeyDFZHDDNFAQXALN-OTKBJROVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Catechin 5-O-(2-feruloyl-6-p-coumaroyl-beta-D-glucopyranoside) (CHEBI:186489) is a flavonoid (CHEBI:47916)
Catechin 5-O-(2-feruloyl-6-p-coumaroyl-beta-D-glucopyranoside) (CHEBI:186489) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-5-yl]oxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
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LMPK12020057LIPID MAPS
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