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CHEBI:210831 - Nemanolone D

ChEBI IDCHEBI:210831
ChEBI NameNemanolone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H10O5
Net Charge0
Average Mass222.196
Monoisotopic Mass222.05282
SMILESCc1cc2c(CO)c(O)c(O)c(=O)cc2o1
InChIInChI=1S/C11H10O5/c1-5-2-6-7(4-12)10(14)11(15)8(13)3-9(6)16-5/h2-3,12H,4H2,1H3,(H2,13,14,15)
InChIKeyJYECSTONKXULDC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nemania (ncbitaxon:109374) - DOI (10.1016/j.tet.2017.05.030)
ChEBI Ontology
Outgoing Relation(s)
Nemanolone D (CHEBI:210831) is a cycloheptafuran (CHEBI:39435)
IUPAC Name 
5,6-dihydroxy-4-(hydroxymethyl)-2-methylcyclohepta[b]uran-7-one
Manual XrefsDatabases
78435253ChemSpider