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CHEBI:199969 - Epicoccolide A

ChEBI IDCHEBI:199969
ChEBI NameEpicoccolide 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(O)c(O)c(O)c(C)c2C1=O
InChIInChI=1S/C18H14O9/c1-4-6(3-19)8-16-13(23)7-5(2)11(21)14(24)12(22)9(7)18(26-16)27-17(8)15(25)10(4)20/h3,16,18,20-22,24-25H,1-2H3/t16-,18+/m1/s1
InChIKeyVFBCGYVZJVAFIO-AEFFLSMTSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - DOI (10.1002/ejoc.201300146)
ChEBI Ontology
Outgoing Relation(s)
Epicoccolide A (CHEBI:199969) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(1R,9S)-5,6,11,12,13-pentahydroxy-4,14-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
78436563ChemSpider