CHEBI:191587 - 2-Benzylidene-1-heptanol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 2-Benzylidene-1-heptanol
ChEBI ID CHEBI:191587
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H20O
Net Charge 0
Average Mass 204.313
Monoisotopic Mass 204.15142
InChI InChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11+
InChIKey LIPHCKNQPJXUQF-SDNWHVSQSA-N
SMILES OC\C(\CCCCC)=C\C1=CC=CC=C1
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Benzylidene-1-heptanol (CHEBI:191587) is a phenylpropanoid (CHEBI:26004)
IUPAC Name
(2E)-2-benzylideneheptan-1-ol
Manual Xref Database
4519770 ChemSpider
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Registry Number Type Source
101-85-9 CAS Registry Number ChemIDplus