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CHEBI:186393 - Barbatoflavan

ChEBI IDCHEBI:186393
ChEBI NameBarbatoflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O13
Net Charge0
Average Mass524.475
Monoisotopic Mass524.15299
SMILESCOc1cc(O)c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c2c1C[C@@H](OC(C)=O)[C@@H](c1ccc(O)c(O)c1)O2
InChIInChI=1S/C24H28O13/c1-9(26)34-16-6-11-15(33-2)7-14(29)23(37-24-20(32)19(31)18(30)17(8-25)35-24)22(11)36-21(16)10-3-4-12(27)13(28)5-10/h3-5,7,16-21,24-25,27-32H,6,8H2,1-2H3/t16-,17?,18-,19+,20?,21-,24+/m1/s1
InChIKeyGWCKEYBXVJCUKX-HORCYSQOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Barbatoflavan (CHEBI:186393) is a flavonoids (CHEBI:72544)
Barbatoflavan (CHEBI:186393) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl] acetate
Manual XrefsDatabases
24842583ChemSpider
LMPK12020150LIPID MAPS