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CHEBI:202858 - Xanthoepocin

ChEBI IDCHEBI:202858
ChEBI NameXanthoepocin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H22O14
Net Charge0
Average Mass606.492
Monoisotopic Mass606.10096
SMILESCOC12OC1(C13OC1(OC)C(=O)c1cc4cc(C)oc(=O)c4c(O)c1C3O)C(O)c1c(cc3cc(C)oc(=O)c3c1O)C2=O
InChIInChI=1S/C30H22O14/c1-9-5-11-7-13-17(19(31)15(11)25(37)41-9)23(35)27(29(39-3,43-27)21(13)33)28-24(36)18-14(22(34)30(28,40-4)44-28)8-12-6-10(2)42-26(38)16(12)20(18)32/h5-8,23-24,31-32,35-36H,1-4H3
InChIKeyKJPAOKCLRDGPMI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium simplicissimum (ncbitaxon:69488) - PubMed (11099226)
ChEBI Ontology
Outgoing Relation(s)
Xanthoepocin (CHEBI:202858) is a organic heterotricyclic compound (CHEBI:26979)
Xanthoepocin (CHEBI:202858) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
14-(2,15-dihydroxy-12-methoxy-6-methyl-4,11-dioxo-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraen-14-yl)-2,15-dihydroxy-12-methoxy-6-methyl-5,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),2,6,8-tetraene-4,11-dione
Manual XrefsDatabases
4587826ChemSpider