CHEBI:175026 - Tokinolide A

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ChEBI Name Tokinolide A
ChEBI ID CHEBI:175026
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H28O4
Net Charge 0
Average Mass 380.484
Monoisotopic Mass 380.19876
InChI InChI=1S/C24H28O4/c1-3-5-9-17-15-11-12-16-20(19(15)21(25)27-17)24-14-8-7-13-23(16,24)22(26)28-18(24)10-6-4-2/h7,9-10,13,16,20H,3-6,8,11-12,14H2,1-2H3/b17-9-,18-10+
InChIKey UHSPLLCHEOVMGH-BUOZRGFLSA-N
SMILES O1/C(/C23C(C4C2C5=C(CC4)\C(\OC5=O)=C\CCC)(C1=O)C=CCC3)=C/CCC
ChEBI Ontology
Outgoing Tokinolide A (CHEBI:175026) is a butenolide (CHEBI:50523)
IUPAC Name
(6Z,16E)-6,16-di(butylidene)-5,17-dioxapentacyclo[9.4.3.01,11.02,10.03,7]octadeca-3(7),12-diene-4,18-dione
Manual Xrefs Databases
35015008 ChemSpider
HMDB0040707 HMDB
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