CHEBI:180713 - Cassiastearoptene

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 Cassiastearoptene
ChEBI ID CHEBI:180713
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H10O2
Net Charge 0
Average Mass 162.188
Monoisotopic Mass 162.06808
InChI InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+
InChIKey KKVZAVRSVHUSPL-GQCTYLIASA-N
SMILES O(C=1C(=CC=CC1)/C=C/C=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing Cassiastearoptene (CHEBI:180713) is a cinnamaldehydes (CHEBI:23245)
IUPAC Name
(E)-3-(2-methoxyphenyl)prop-2-enal
Manual Xrefs Databases
556589 ChemSpider
HMDB0033830 HMDB
View more database links
Registry Number Type Source
1504-74-1 CAS Registry Number ChemIDplus