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CHEBI:218560 - 8-O-desmethylanthrotainin

ChEBI IDCHEBI:218560
ChEBI Name8-O-desmethylanthrotainin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H15NO9
Net Charge0
Average Mass401.327
Monoisotopic Mass401.07468
SMILESNC(=O)C1=C(O)[C@@]2(O)C(=O)c3c(cc4cc(O)cc(O)c4c3O)C[C@@]2(O)CC1=O
InChIInChI=1S/C19H15NO9/c20-17(27)13-10(23)5-18(28)4-7-1-6-2-8(21)3-9(22)11(6)14(24)12(7)15(25)19(18,29)16(13)26/h1-3,21-22,24,26,28-29H,4-5H2,(H2,20,27)/t18-,19+/m1/s1
InChIKeyXZMHEWSQIGGCKG-MOPGFXCFSA-N
Species of MetaboliteComponentSourceComments
Penicillium aethiopicum (ncbitaxon:36650) - PubMed (24161266)
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)
8-O-desmethylanthrotainin (CHEBI:218560) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4aR,12aR)-1,4a,8,10,11,12a-hexahydroxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide
Manual XrefsDatabases
78442807ChemSpider