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CHEBI:217555 - N-demethylophiosetin

ChEBI IDCHEBI:217555
ChEBI NameN-demethylophiosetin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29NO5
Net Charge0
Average Mass375.465
Monoisotopic Mass375.20457
SMILESCC=C[C@@H]1C=C[C@@H]2C[C@H](CO)CC[C@H]2[C@]1(C)C(O)=C1C(=O)N[C@@H](CO)C1=O
InChIInChI=1S/C21H29NO5/c1-3-4-14-7-6-13-9-12(10-23)5-8-15(13)21(14,2)19(26)17-18(25)16(11-24)22-20(17)27/h3-4,6-7,12-16,23-24,26H,5,8-11H2,1-2H3,(H,22,27)/t12-,13-,14-,15-,16+,21-/m1/s1
InChIKeyLPWXDYPENKJYSQ-OSGLJWDPSA-N
Species of MetaboliteComponentSourceComments
Fusarium incarnatum (ncbitaxon:298378) - PubMed (24422636)
ChEBI Ontology
Outgoing Relation(s)
N-demethylophiosetin (CHEBI:217555) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
(5S)-3-[[(1S,2R,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)pyrrolidine-2,4-dione