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CHEBI:210813 - Nemanolone A

ChEBI IDCHEBI:210813
ChEBI NameNemanolone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O5
Net Charge0
Average Mass210.185
Monoisotopic Mass210.05282
SMILESC[C@@]1(O)Cc2ccc(=O)c(O)c(O)c2O1
InChIInChI=1S/C10H10O5/c1-10(14)4-5-2-3-6(11)7(12)8(13)9(5)15-10/h2-3,14H,4H2,1H3,(H2,11,12,13)/t10-/m0/s1
InChIKeyYQCYXAQZWILYDX-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Nemania (ncbitaxon:109374) - DOI (10.1016/j.tet.2017.05.030)
ChEBI Ontology
Outgoing Relation(s)
Nemanolone A (CHEBI:210813) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
2,7,8-trihydroxy-2-methyl-3H-cyclohepta[b]uran-6-one
Manual XrefsDatabases
78435249ChemSpider