CHEBI:191668 - Quinceoxepine

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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 Quinceoxepine
ChEBI ID CHEBI:191668
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/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h5-7,12H,1,4,8-9H2,2-3H3/b7-6-
InChIKey JEUOOEBZKFVZGG-SREVYHEPSA-N
SMILES O1C(CC(=CCC1)C)/C=C\C(C)=C
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 Quinceoxepine (CHEBI:191668) is a ether (CHEBI:25698)
IUPAC Name
4-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,6,7-tetrahydrooxepine
Manual Xrefs Databases
35014507 ChemSpider
HMDB0038107 HMDB
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