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CHEBI:217921 - Epicocconigrone B

ChEBI IDCHEBI:217921
ChEBI NameEpicocconigrone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O6
Net Charge0
Average Mass318.325
Monoisotopic Mass318.11034
SMILESCC1=C(C)[C@]2(C)Cc3c(O)c(O)c(O)c(C)c3C(=O)[C@@]2(O)C1=O
InChIInChI=1S/C17H18O6/c1-6-8(3)16(4)5-9-10(15(22)17(16,23)14(6)21)7(2)11(18)13(20)12(9)19/h18-20,23H,5H2,1-4H3/t16-,17-/m0/s1
InChIKeyYKRJBZOAJFAGBE-IRXDYDNUSA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (24328302)
ChEBI Ontology
Outgoing Relation(s)
Epicocconigrone B (CHEBI:217921) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(3aS,9aS)-5,6,7,9a-tetrahydroxy-2,3,3a,8-tetramethyl-4H-cyclopenta[b]naphthalene-1,9-dione
Manual XrefsDatabases
78438673ChemSpider