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CHEBI:218910 - (+/-)-conipyrrolidone D

ChEBI IDCHEBI:218910
ChEBI Name(+/-)-conipyrrolidone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H25NO4
Net Charge0
Average Mass391.467
Monoisotopic Mass391.17836
SMILESCC1=CC[C@H]2[C@H](C(=O)C3=C(O)C(=Cc4ccc(O)cc4)NC3=O)[C@@H](C)C=C[C@H]2C1
InChIInChI=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+/m0/s1
InChIKeyPGZBSQFNTVASLO-LBLLVPRASA-N
Species of MetaboliteComponentSourceComments
Coniochaeta cephalothecoides (ncbitaxon:2033264) - PubMed (29019245)
ChEBI Ontology
Outgoing Relation(s)
(+/-)-conipyrrolidone D (CHEBI:218910) is a phenols (CHEBI:33853)
IUPAC Name 
3-[(1R,2S,4aR,8aR)-2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl]-4-hydroxy-5-[(4-hydroxyphenyl)methylidene]pyrrol-2-one
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78439470ChemSpider