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CHEBI:210837 - Nemanolone E

ChEBI IDCHEBI:210837
ChEBI NameNemanolone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O5
Net Charge0
Average Mass236.223
Monoisotopic Mass236.06847
SMILESCOc1cc2oc(C)cc2c(CO)c(=O)c1O
InChIInChI=1S/C12H12O5/c1-6-3-7-8(5-13)11(14)12(15)10(16-2)4-9(7)17-6/h3-4,13H,5H2,1-2H3,(H,14,15)
InChIKeySDXKGQMJRWIUAU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nemania (ncbitaxon:109374) - DOI (10.1016/j.tet.2017.05.030)
ChEBI Ontology
Outgoing Relation(s)
Nemanolone E (CHEBI:210837) is a cycloheptafuran (CHEBI:39435)
IUPAC Name 
6-hydroxy-4-(hydroxymethyl)-7-methoxy-2-methylcyclohepta[b]uran-5-one
Manual XrefsDatabases
78435254ChemSpider