CHEBI:214991 - Monapilonitrile A

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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 Monapilonitrile A
ChEBI ID CHEBI:214991
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H23NO4
Net Charge 0
Average Mass 353.418
Monoisotopic Mass 353.16271
InChI InChI=1S/C21H23NO4/c1-4-6-7-9-19(23)16(12-22)18-11-14-10-15(8-5-2)26-13-17(14)20(24)21(18,3)25/h5,8,10-11,13,25H,4,6-7,9H2,1-3H3/b8-5+,18-16+/t21-/m0/s1
InChIKey OPGAFYAYCFPNQM-HNZGMQNFSA-N
SMILES O=C1C=2C(C=C(/C=C/C)OC2)=C\C(\[C@@]1(O)C)=C(\C#N)/C(=O)CCCCC
Metabolite of Species Details
Monascus (NCBI:txid5097) See: DOI
ChEBI Ontology
Outgoing Monapilonitrile A (CHEBI:214991) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(2E)-2-[7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]isochromen-6-ylidene]-3-oxooctanenitrile