CHEBI:186474 - Antiarone J

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ChEBI Name Antiarone J
ChEBI ID CHEBI:186474
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32O7
Net Charge 0
Average Mass 456.535
Monoisotopic Mass 456.21480
InChI InChI=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
InChIKey ZCVGLTYGHRXWLX-IEBWSBKVSA-N
SMILES OC([C@]1([C@@H](C2=C(C1)C(O)=C(OC)C(=C2)CC=C(C)C)CC(=O)C3=C(O)C=C(O)C=C3O)[H])(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24845989 ChemSpider
LMPK12120277 LIPID MAPS
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