CHEBI:219420 - Aspergilol D

ChEBI IDCHEBI:219420
ChEBI NameAspergilol D
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SubmitterMetaboLights
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FormulaC22H20O7
Net Charge0
Average Mass396.395
Monoisotopic Mass396.12090
SMILESCc1cc(OC(=O)c2c(C)cc(O)cc2O)cc(Oc2cc(C)cc(O)c2O)c1
InChIInChI=1S/C22H20O7/c1-11-4-15(28-19-7-12(2)6-18(25)21(19)26)10-16(5-11)29-22(27)20-13(3)8-14(23)9-17(20)24/h4-10,23-26H,1-3H3
InChIKeyYYVCPKSKHKQELO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (33480256)
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/j.tet.2015.10.038)
ChEBI Ontology
Outgoing Relation(s)
Aspergilol D (CHEBI:219420) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[3-(2,3-dihydroxy-5-methylphenoxy)-5-methylphenyl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
78435023ChemSpider