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CHEBI:206467 - Aspergilol A

ChEBI IDCHEBI:206467
ChEBI NameAspergilol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H32O9
Net Charge0
Average Mass584.621
Monoisotopic Mass584.20463
SMILESCCCCC[C@@H](c1c(C)cc(Oc2cc(C)cc(O)c2)cc1O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C34H32O9/c1-4-5-6-7-22(28-17(3)10-21(14-26(28)38)43-20-9-16(2)8-18(35)11-20)29-27(39)15-24-31(33(29)41)34(42)30-23(32(24)40)12-19(36)13-25(30)37/h8-15,22,35-39,41H,4-7H2,1-3H3/t22-/m0/s1
InChIKeyPBHGSIRHKIBKSJ-QFIPXVFZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/j.tet.2015.10.038)
Aspergillus (ncbitaxon:5052) - PubMed (33480256)
ChEBI Ontology
Outgoing Relation(s)
Aspergilol A (CHEBI:206467) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
1,3,6,8-tetrahydroxy-2-[(1S)-1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]hexyl]anthracene-9,10-dione
Manual XrefsDatabases
58196427ChemSpider