iso-debromo-laurinterol (CHEBI:230677)

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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	iso-debromo-laurinterol

ChEBI ID	CHEBI:230677

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O

Net Charge

Average Mass

216.324

Monoisotopic Mass

216.15142

InChI

InChI=1S/C15H20O/c1-10-4-5-11(8-13(10)16)14(2)7-6-12-9-15(12,14)3/h4-5,8,12,16H,6-7,9H2,1-3H3/t12-,14+,15+/m1/s1

InChIKey

CVIXDDABZMVCMV-SNPRPXQTSA-N

SMILES

OC=1C=C([C@]2([C@@]3([C@@H](C3)CC2)C)C)C=CC1C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	iso-debromo-laurinterol (CHEBI:230677) is a organic molecular entity (CHEBI:50860)

IUPAC Name

5-[(1S,2R,5R)-1,2-dimethyl-2-bicyclo[3.1.0]hexanyl]-2-methylphenol