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CHEBI:210802 - Nemanecin B

ChEBI IDCHEBI:210802
ChEBI NameNemanecin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O4
Net Charge0
Average Mass210.229
Monoisotopic Mass210.08921
SMILESCC1=CC2=CC(=O)[C@@](C)(O)[C@H](O)[C@H]2CO1
InChIInChI=1S/C11H14O4/c1-6-3-7-4-9(12)11(2,14)10(13)8(7)5-15-6/h3-4,8,10,13-14H,5H2,1-2H3/t8-,10+,11+/m0/s1
InChIKeyOFLQNOVREAGOBE-JMJZKYOTSA-N
Species of MetaboliteComponentSourceComments
Nemania (ncbitaxon:109374) - DOI (10.1016/j.tet.2017.05.030)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Nemanecin B (CHEBI:210802) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7S,8R,8aR)-7,8-dihydroxy-3,7-dimethyl-8,8a-dihydro-1H-isochromen-6-one
Manual XrefsDatabases
60597215ChemSpider