CHEBI:204366 - Didymellamide C

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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 Didymellamide C
ChEBI ID CHEBI:204366
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H29NO5
Net Charge 0
Average Mass 411.498
Monoisotopic Mass 411.20457
InChI InChI=1S/C24H29NO5/c1-13-3-6-17-15(11-13)5-4-14(2)19(17)22(28)20-21(27)18(12-25-23(20)29)24(30)9-7-16(26)8-10-24/h4-5,7,9,12-15,17,19,30H,3,6,8,10-11H2,1-2H3,(H2,25,27,29)/t13-,14-,15-,17-,19-,24?/m1/s1
InChIKey JKXALCZFBIKVEQ-ZOJOTGHDSA-N
SMILES O=C1NC=C(C2(O)C=CC(=O)CC2)C(=C1C(=O)[C@H]3[C@H]4[C@H](C=C[C@H]3C)C[C@H](C)CC4)O
Metabolite of Species Details
Stagonosporopsis cucurbitacearum (NCBI:txid749889) See: PubMed
ChEBI Ontology
Outgoing Didymellamide C (CHEBI:204366) is a aromatic ketone (CHEBI:76224)
IUPAC Name
3-[(1R,2R,4aS,6R,8aR)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-4-hydroxy-5-(1-hydroxy-4-oxocyclohex-2-en-1-yl)-1H-pyridin-2-one
Manual Xref Database
29415063 ChemSpider
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