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CHEBI:187600 - Albafuran C

ChEBI IDCHEBI:187600
ChEBI NameAlbafuran C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H28O9
Net Charge0
Average Mass580.589
Monoisotopic Mass580.17333
SMILES[H][C@@]1(c2cc3cc(-c4cc(O)cc(O)c4)oc3cc2O)C=C(C)C[C@]([H])(c2ccc(O)cc2O)[C@H]1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C34H28O9/c1-16-6-26(23-4-2-19(35)13-28(23)39)33(34(42)24-5-3-20(36)14-29(24)40)27(7-16)25-10-18-11-31(43-32(18)15-30(25)41)17-8-21(37)12-22(38)9-17/h2-5,7-15,26-27,33,35-41H,6H2,1H3/t26-,27+,33-/m1/s1
InChIKeySEUPIEHHWMMMQG-OEYLZLLESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Albafuran C (CHEBI:187600) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2,4-dihydroxyphenyl)-[(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzouran-5-yl]-4-methylcyclohex-3-en-1-yl]methanone
Manual XrefsDatabases
9448232ChemSpider