CHEBI:183905 - Biphenylindanone a

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Biphenylindanone a
ChEBI ID CHEBI:183905
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H30O4
Net Charge 0
Average Mass 454.566
Monoisotopic Mass 454.21441
InChI InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)
InChIKey KMKBEESNZAPKMP-UHFFFAOYSA-N
SMILES O=C1C(C2CCCC2)CC=3C1=C(C(=C(OCC4=CC(=CC=C4)C5=CC=C(C=C5)C(O)=O)C3)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing Biphenylindanone a (CHEBI:183905) is a biphenyls (CHEBI:22888)
IUPAC Name
4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid
Manual Xref Database
8044271 ChemSpider
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