CHEBI:218977 - (+/-)-conipyrrolidone 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 (+/-)-conipyrrolidone C
ChEBI ID CHEBI:218977
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H25NO4
Net Charge 0
Average Mass 391.467
Monoisotopic Mass 391.17836
InChI InChI=1S/C24H25NO4/c1-13-3-10-18-16(11-13)7-4-14(2)20(18)23(28)21-22(27)19(25-24(21)29)12-15-5-8-17(26)9-6-15/h3-9,12,14,16,18,20,26-27H,10-11H2,1-2H3,(H,25,29)/t14-,16-,18-,20-/m1/s1
InChIKey PGZBSQFNTVASLO-QSFMABPGSA-N
SMILES O=C1NC(=CC2=CC=C(O)C=C2)C(=C1C(=O)[C@H]3[C@H]4[C@H](C=C[C@H]3C)CC(C)=CC4)O
Metabolite of Species Details
Coniochaeta cephalothecoides (NCBI:txid2033264) See: PubMed
ChEBI Ontology
Outgoing (+/-)-conipyrrolidone C (CHEBI:218977) is a phenols (CHEBI:33853)
IUPAC Name
3-[(1R,2R,4aS,8aR)-2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl]-4-hydroxy-5-[(4-hydroxyphenyl)methylidene]pyrrol-2-one
Manual Xref Database
78439481 ChemSpider
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