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CHEBI:206574 - Aspergilol I

Default Structure
ChEBI IDCHEBI:206574
ChEBI NameAspergilol I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O8
Net Charge0
Average Mass388.372
Monoisotopic Mass388.11582
SMILESC[C@H](O)CC[C@H](CO)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C20H20O8/c1-8(22)2-3-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,8-9,21-25,27H,2-3,7H2,1H3/t8-,9+/m0/s1
InChIKeyNLKGBAPOCWPDFC-DTWKUNHWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28129981)
ChEBI Ontology
Outgoing Relation(s)
Aspergilol I (CHEBI:206574) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
2-[(2S,5S)-1,5-dihydroxyhexan-2-yl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione
Manual XrefsDatabases
61362075ChemSpider