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CHEBI:199431 - Epicocconigrone A

ChEBI IDCHEBI:199431
ChEBI NameEpicocconigrone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H14O9
Net Charge0
Average Mass374.301
Monoisotopic Mass374.06378
SMILESCc1c(O)c(O)c2c(c1C=O)[C@@H]1O[C@H](O2)c2c(C)c(O)c(O)c(O)c2C1=O
InChIInChI=1S/C18H14O9/c1-4-6(3-19)8-16-13(23)9-7(5(2)11(21)14(24)12(9)22)18(26-16)27-17(8)15(25)10(4)20/h3,16,18,20-22,24-25H,1-2H3/t16-,18+/m0/s1
InChIKeyAHNFXMBOWJVAPB-FUHWJXTLSA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (24328302)
ChEBI Ontology
Outgoing Relation(s)
Epicocconigrone A (CHEBI:199431) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(1S,9R)-5,6,12,13,14-pentahydroxy-4,11-dimethyl-16-oxo-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene-3-carbaldehyde
Manual XrefsDatabases
31128269ChemSpider