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CHEBI:199056 - Coniosetin

ChEBI IDCHEBI:199056
ChEBI NameConiosetin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35NO4
Net Charge0
Average Mass413.558
Monoisotopic Mass413.25661
SMILESC/C=C/C=C/[C@@H]1C(C)=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)/C(O)=C1\C(=O)NC(C(C)O)C1=O
InChIInChI=1S/C25H35NO4/c1-6-7-8-9-18-15(3)13-17-12-14(2)10-11-19(17)25(18,5)23(29)20-22(28)21(16(4)27)26-24(20)30/h6-9,13-14,16-19,21,27,29H,10-12H2,1-5H3,(H,26,30)/b7-6+,9-8+,23-20+/t14-,16?,17+,18-,19-,21?,25-/m1/s1
InChIKeyISHIUSZGAFLPLK-MSLMHWDWSA-N
Species of MetaboliteComponentSourceComments
Coniochaeta (ncbitaxon:79808) - PubMed (12715870)
ChEBI Ontology
Outgoing Relation(s)
Coniosetin (CHEBI:199056) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
(3E)-3-[[(1S,2R,4aS,6R,8aR)-1,3,6-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione
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78436449ChemSpider