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CHEBI:206177 - Hymenosetin

ChEBI IDCHEBI:206177
ChEBI NameHymenosetin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33NO4
Net Charge0
Average Mass387.520
Monoisotopic Mass387.24096
SMILESC/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)N[C@@H]([C@@H](C)O)C1=O
InChIInChI=1S/C23H33NO4/c1-6-7-16-13(3)11-15-10-12(2)8-9-17(15)23(16,5)21(27)18-20(26)19(14(4)25)24-22(18)28/h6-7,11-12,14-17,19,25,27H,8-10H2,1-5H3,(H,24,28)/b7-6+,21-18+/t12-,14-,15+,16-,17-,19+,23-/m1/s1
InChIKeySAVBYHHROQZLEY-IONFRVELSA-N
Species of MetaboliteComponentSourceComments
Hymenoscyphus fraxineus (ncbitaxon:746836) - PubMed (24529574)
ChEBI Ontology
Outgoing Relation(s)
Hymenosetin (CHEBI:206177) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
(3E,5S)-3-[[(1S,2R,4aS,6R,8aR)-1,3,6-trimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-[(1R)-1-hydroxyethyl]pyrrolidine-2,4-dione
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58809740ChemSpider