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CHEBI:208167 - Chelocardin

ChEBI IDCHEBI:208167
ChEBI NameChelocardin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H21NO7
Net Charge0
Average Mass411.410
Monoisotopic Mass411.13180
SMILESCC(=O)C1=C(O)[C@@]2(O)C(=O)c3c(c(C)c4ccc(C)c(O)c4c3O)C[C@H]2[C@@H](N)C1=O
InChIInChI=1S/C22H21NO7/c1-7-4-5-10-8(2)11-6-12-16(23)19(27)13(9(3)24)20(28)22(12,30)21(29)15(11)18(26)14(10)17(7)25/h4-5,12,16,25-26,28,30H,6,23H2,1-3H3/t12-,16+,22+/m0/s1
InChIKeyLUYXWZOOMKBUMB-ONJZCGHCSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis sulphurea (ncbitaxon:76022) - PubMed (5459200)
ChEBI Ontology
Outgoing Relation(s)
Chelocardin (CHEBI:208167) is a naphthols (CHEBI:25392)
IUPAC Name 
(1R,4aR,12aS)-3-acetyl-1-amino-4,4a,6,7-tetrahydroxy-8,11-dimethyl-12,12a-dihydro-1H-tetracene-2,5-dione
Manual XrefsDatabases
64494ChemSpider