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CHEBI:218971 - (+/-)-conipyrrolidone B

ChEBI IDCHEBI:218971
ChEBI Name(+/-)-conipyrrolidone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO4
Net Charge0
Average Mass393.483
Monoisotopic Mass393.19401
SMILESCC1=CC[C@H]2[C@H](C(O)=C3C(=O)N[C@@H](Cc4ccc(O)cc4)C3=O)[C@H](C)C=C[C@@H]2C1
InChIInChI=1S/C24H27NO4/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/h3-9,14,16,18-20,26,28H,10-12H2,1-2H3,(H,25,29)/t14-,16-,18-,19+,20-/m1/s1
InChIKeyADFFFLHRKUIXAV-TVFZMDHNSA-N
Species of MetaboliteComponentSourceComments
Coniochaeta cephalothecoides (ncbitaxon:2033264) - PubMed (29019245)
ChEBI Ontology
Outgoing Relation(s)
(+/-)-conipyrrolidone B (CHEBI:218971) is a phenols (CHEBI:33853)
IUPAC Name 
(5S)-3-[[(1R,2R,4aS,8aR)-2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalen-1-yl]-hydroxymethylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
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78439480ChemSpider