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CHEBI:186474 - Antiarone J

ChEBI IDCHEBI:186474
ChEBI NameAntiarone J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O7
Net Charge0
Average Mass456.535
Monoisotopic Mass456.21480
SMILES[H][C@@]1(C(C)(C)O)Cc2c(cc(CC=C(C)C)c(OC)c2O)[C@H]1CC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C26H32O7/c1-13(2)6-7-14-8-16-17(12-22(30)23-20(28)9-15(27)10-21(23)29)19(26(3,4)32)11-18(16)24(31)25(14)33-5/h6,8-10,17,19,27-29,31-32H,7,11-12H2,1-5H3/t17-,19-/m1/s1
InChIKeyZCVGLTYGHRXWLX-IEBWSBKVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Antiarone J (CHEBI:186474) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-[(1S,2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-5-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydro-1H-inden-1-yl]-1-(2,4,6-trihydroxyphenyl)ethanone
Manual XrefsDatabases
24845989ChemSpider
LMPK12120277LIPID MAPS