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CHEBI:221861 - Nigrosporin A

Default Structure
ChEBI IDCHEBI:221861
ChEBI NameNigrosporin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O6
Net Charge0
Average Mass304.298
Monoisotopic Mass304.09469
SMILESCOC1=CC(=O)c2cc3c(c(O)c2C1=O)C[C@](C)(O)[C@H](O)C3
InChIInChI=1S/C16H16O6/c1-16(21)6-9-7(4-12(16)18)3-8-10(17)5-11(22-2)15(20)13(8)14(9)19/h3,5,12,18-19,21H,4,6H2,1-2H3/t12-,16+/m1/s1
InChIKeyXPLYMMZTNOASBB-WBMJQRKESA-N
Species of MetaboliteComponentSourceComments
Nigrospora oryzae (ncbitaxon:335854) - PubMed (27396737)
ChEBI Ontology
Outgoing Relation(s)
Nigrosporin A (CHEBI:221861) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(6R,7S)-6,7,9-trihydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
Manual XrefsDatabases
8239138ChemSpider