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CHEBI:213048 - Aspetritone A

ChEBI IDCHEBI:213048
ChEBI NameAspetritone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O7
Net Charge0
Average Mass334.324
Monoisotopic Mass334.10525
SMILESCOC1=C(OC)C(=O)c2c(cc3c(c2O)C[C@@H](C)[C@H](O)[C@H]3O)C1=O
InChIInChI=1S/C17H18O7/c1-6-4-7-8(13(20)11(6)18)5-9-10(12(7)19)15(22)17(24-3)16(23-2)14(9)21/h5-6,11,13,18-20H,4H2,1-3H3/t6-,11+,13+/m1/s1
InChIKeyJQLBWAXAMKBOIM-RWAWWYONSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29112138)
ChEBI Ontology
Outgoing Relation(s)
Aspetritone A (CHEBI:213048) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(5S,6S,7R)-5,6,9-trihydroxy-2,3-dimethoxy-7-methyl-5,6,7,8-tetrahydroanthracene-1,4-dione
Manual XrefsDatabases
62816293ChemSpider