CHEBI:174221 - Zanthosimuline

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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 Zanthosimuline
ChEBI ID CHEBI:174221
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H23NO2
Net Charge 0
Average Mass 309.409
Monoisotopic Mass 309.17288
InChI InChI=1S/C20H23NO2/c1-14(2)8-7-12-20(3)13-11-16-18(23-20)15-9-5-6-10-17(15)21(4)19(16)22/h5-6,8-11,13H,7,12H2,1-4H3
InChIKey VMCDFWKTDCXEJZ-UHFFFAOYSA-N
SMILES O1C(CCC=C(C)C)(C=CC2=C1C=3C(N(C2=O)C)=CC=CC3)C
ChEBI Ontology
Outgoing Zanthosimuline (CHEBI:174221) is a organic heterotricyclic compound (CHEBI:26979)
Zanthosimuline (CHEBI:174221) is a organonitrogen heterocyclic compound (CHEBI:38101)
Zanthosimuline (CHEBI:174221) is a oxacycle (CHEBI:38104)
IUPAC Name
2,6-dimethyl-2-(4-methylpent-3-enyl)pyrano[3,2-c]quinolin-5-one
Manual Xrefs Databases
4474739 ChemSpider
HMDB0040368 HMDB
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