CHEBI:188336 - xi-3-(4-Isopropylphenyl)-2-methylpropanal

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 xi-3-(4-Isopropylphenyl)-2-methylpropanal
ChEBI ID CHEBI:188336
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C13H18O
Net Charge 0
Average Mass 190.286
Monoisotopic Mass 190.13577
InChI InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
InChIKey ZFNVDHOSLNRHNN-UHFFFAOYSA-N
SMILES O=CC(CC1=CC=C(C(C)C)C=C1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing xi-3-(4-Isopropylphenyl)-2-methylpropanal (CHEBI:188336) is a monoterpenoid (CHEBI:25409)
IUPAC Name
2-methyl-3-(4-propan-2-ylphenyl)propanal
Manual Xrefs Databases
451801 ChemSpider
HMDB0037763 HMDB
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Registry Number Type Source
103-95-7 CAS Registry Number ChemIDplus