CHEBI:172003 - 3-Methyl-1-phenyl-3-pentanol

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ChEBI Name 3-Methyl-1-phenyl-3-pentanol
ChEBI ID CHEBI:172003
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H18O
Net Charge 0
Average Mass 178.275
Monoisotopic Mass 178.13577
InChI InChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
InChIKey AEJRTNBCFUOSEM-UHFFFAOYSA-N
SMILES OC(CCC1=CC=CC=C1)(CC)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 3-Methyl-1-phenyl-3-pentanol (CHEBI:172003) is a benzenes (CHEBI:22712)
IUPAC Name
3-methyl-1-phenylpentan-3-ol
Manual Xrefs Databases
55436 ChemSpider
HMDB0031731 HMDB
View more database links
Registry Number Type Source
10415-87-9 CAS Registry Number ChemIDplus