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CHEBI:218553 - 5-hydroxyanthrotainin

ChEBI IDCHEBI:218553
ChEBI Name5-hydroxyanthrotainin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H17NO10
Net Charge0
Average Mass431.353
Monoisotopic Mass431.08525
SMILESCOc1cc(O)c2c(O)c3c(cc2c1)[C@H](O)[C@@]1(O)CC(=O)C(C(N)=O)=C(O)[C@@]1(O)C3=O
InChIInChI=1S/C20H17NO10/c1-31-7-2-6-3-8-12(14(24)11(6)9(22)4-7)16(26)20(30)17(27)13(18(21)28)10(23)5-19(20,29)15(8)25/h2-4,15,22,24-25,27,29-30H,5H2,1H3,(H2,21,28)/t15-,19-,20-/m0/s1
InChIKeyJENSOXBZLVHOFV-YSSFQJQWSA-N
Species of MetaboliteComponentSourceComments
Penicillium aethiopicum (ncbitaxon:36650) - PubMed (22590971)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5-hydroxyanthrotainin (CHEBI:218553) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4aS,5S,12aS)-1,4a,5,10,11,12a-hexahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide
Manual XrefsDatabases
78442806ChemSpider