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CHEBI:217988 - Nigrospoxydon C

ChEBI IDCHEBI:217988
ChEBI NameNigrospoxydon C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O7
Net Charge0
Average Mass294.259
Monoisotopic Mass294.07395
SMILESO=C(O[C@H]1C(=O)C(CO)=C[C@@H](O)[C@@H]1O)c1cccc(O)c1
InChIInChI=1S/C14H14O7/c15-6-8-5-10(17)12(19)13(11(8)18)21-14(20)7-2-1-3-9(16)4-7/h1-5,10,12-13,15-17,19H,6H2/t10-,12+,13+/m1/s1
InChIKeySNBAWTHXVVSPPU-WXHSDQCUSA-N
Species of MetaboliteComponentSourceComments
Nigrospora (ncbitaxon:114230) - PubMed (18646829)
ChEBI Ontology
Outgoing Relation(s)
Nigrospoxydon C (CHEBI:217988) is a benzoate ester (CHEBI:36054)
Nigrospoxydon C (CHEBI:217988) is a phenols (CHEBI:33853)
IUPAC Name 
[(1R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl] 3-hydroxybenzoate
Manual XrefsDatabases
24709739ChemSpider