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CHEBI:213053 - Aspetritone B

ChEBI IDCHEBI:213053
ChEBI NameAspetritone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O7
Net Charge0
Average Mass334.324
Monoisotopic Mass334.10525
SMILESCOc1cc2c(c(O)c1OC)C(=O)C1=C(C[C@@H](O)[C@@](C)(O)C1)C2=O
InChIInChI=1S/C17H18O7/c1-17(22)6-9-7(5-11(17)18)13(19)8-4-10(23-2)16(24-3)15(21)12(8)14(9)20/h4,11,18,21-22H,5-6H2,1-3H3/t11-,17+/m1/s1
InChIKeyDUWJNAVRXVQDKB-DIFFPNOSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29112138)
ChEBI Ontology
Outgoing Relation(s)
Aspetritone B (CHEBI:213053) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(2R,3S)-2,3,5-trihydroxy-6,7-dimethoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
Manual XrefsDatabases
78439242ChemSpider