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CHEBI:220606 - Aspergiolide D

ChEBI IDCHEBI:220606
ChEBI NameAspergiolide D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H18O10
Net Charge0
Average Mass538.464
Monoisotopic Mass538.09000
SMILESCOc1cc(O)c2c3c1C(=O)c1c(O)cc(C)c4oc(=O)c(c-3c14)C(=O)[C@]21C(=O)c2c(O)cc(O)cc2C=C1C
InChIInChI=1S/C30H18O10/c1-9-4-13(32)18-22-20-21-19(25(18)35)16(39-3)8-15(34)24(21)30(28(37)23(20)29(38)40-26(9)22)10(2)5-11-6-12(31)7-14(33)17(11)27(30)36/h4-8,31-34H,1-3H3/t30-/m0/s1
InChIKeyNWYKACHSINRRPF-PMERELPUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus glaucus (ncbitaxon:41413) - PubMed (21243700)
ChEBI Ontology
Outgoing Relation(s)
Aspergiolide D (CHEBI:220606) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
2,6',8',12-tetrahydroxy-14-methoxy-3',4-dimethylspiro[6-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),8(17),11(16),12,14-heptaene-10,2'-naphthalene]-1',7,9,19-tetrone
Manual XrefsDatabases
78435030ChemSpider