CHEBI:173566 - Panaquinquecol 5

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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 Panaquinquecol 5
ChEBI ID CHEBI:173566
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O
Net Charge 0
Average Mass 202.297
Monoisotopic Mass 202.13577
InChI InChI=1S/C14H18O/c1-3-5-7-8-10-12-14-13(15-14)11-9-6-4-2/h2-3,13-14H,1,5,7-8,10-12H2
InChIKey TVKDYKYMRUCXKP-UHFFFAOYSA-N
SMILES O1C(C1CC#CC#C)CCCCCC=C
ChEBI Ontology
Outgoing Panaquinquecol 5 (CHEBI:173566) is a epoxide (CHEBI:32955)
IUPAC Name
2-hept-6-enyl-3-penta-2,4-diynyloxirane
Manual Xrefs Databases
156728 ChemSpider
HMDB0039356 HMDB
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Registry Number Type Source
122122-03-6 CAS Registry Number ChemIDplus