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CHEBI:208156 - Aspergiolide C

ChEBI IDCHEBI:208156
ChEBI NameAspergiolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H16O10
Net Charge0
Average Mass524.437
Monoisotopic Mass524.07435
SMILESCC1=Cc2cc(O)cc(O)c2C(=O)[C@]12C(=O)c1c3c4c(c(O)cc(C)c4oc1=O)C(=O)c1c(O)cc(O)c2c1-3
InChIInChI=1S/C29H16O10/c1-8-3-12(31)18-21-19-20-17(24(18)35)14(33)7-15(34)23(20)29(27(37)22(19)28(38)39-25(8)21)9(2)4-10-5-11(30)6-13(32)16(10)26(29)36/h3-7,30-34H,1-2H3/t29-/m0/s1
InChIKeyXDESJGLHZNPMTI-LJAQVGFWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus glaucus (ncbitaxon:41413) - PubMed (21243700)
ChEBI Ontology
Outgoing Relation(s)
Aspergiolide C (CHEBI:208156) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
2,6',8',12,14-pentahydroxy-3',4-dimethylspiro[6-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),8(17),11,13,15-heptaene-10,2'-naphthalene]-1',7,9,19-tetrone
Manual XrefsDatabases
28288325ChemSpider