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CHEBI:187625 - Phellatin

Default Structure
ChEBI IDCHEBI:187625
ChEBI NamePhellatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O12
Net Charge0
Average Mass534.514
Monoisotopic Mass534.17373
SMILESCC(C)(O)CCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O
InChIInChI=1S/C26H30O12/c1-26(2,35)8-7-13-14(37-25-23(34)21(32)19(30)16(10-27)38-25)9-15-17(18(13)29)20(31)22(33)24(36-15)11-3-5-12(28)6-4-11/h3-6,9,16,19,21,23,25,27-30,32-35H,7-8,10H2,1-2H3/t16?,19-,21+,23?,25-/m1/s1
InChIKeyBQLZQPGWNVTIHR-AWGWVDLJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Phellatin (CHEBI:187625) is a flavonoids (CHEBI:72544)
Phellatin (CHEBI:187625) is a glycoside (CHEBI:24400)
IUPAC Name 
3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24844453ChemSpider
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