EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215019 - Nigrosporone A

ChEBI IDCHEBI:215019
ChEBI NameNigrosporone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O6
Net Charge0
Average Mass294.303
Monoisotopic Mass294.11034
SMILESC[C@]1(O)C[C@H]2[C@H](C[C@H]1O)C(=O)c1c(O)ccc(O)c1[C@@H]2O
InChIInChI=1S/C15H18O6/c1-15(21)5-7-6(4-10(15)18)13(19)11-8(16)2-3-9(17)12(11)14(7)20/h2-3,6-7,10,14,16-18,20-21H,4-5H2,1H3/t6-,7-,10+,14+,15-/m0/s1
InChIKeyMEQUSRBVWURDGE-ONGNENJISA-N
Species of MetaboliteComponentSourceComments
Nigrospora (ncbitaxon:114230) - DOI (10.1016/j.phytol.2018.01.015)
ChEBI Ontology
Outgoing Relation(s)
Nigrosporone A (CHEBI:215019) is a anthracenes (CHEBI:46955)
IUPAC Name 
(2R,3S,4aS,9aS,10R)-2,3,5,8,10-pentahydroxy-3-methyl-1,2,4,4a,9a,10-hexahydroanthracen-9-one