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CHEBI:223113 - Anthrotainin

ChEBI IDCHEBI:223113
ChEBI NameAnthrotainin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H17NO9
Net Charge0
Average Mass415.354
Monoisotopic Mass415.09033
SMILESCOc1cc(O)c2c(O)c3c(cc2c1)C[C@]1(O)CC(=O)C(C(N)=O)=C(O)[C@]1(O)C3=O
InChIInChI=1S/C20H17NO9/c1-30-9-3-7-2-8-5-19(28)6-11(23)14(18(21)27)17(26)20(19,29)16(25)13(8)15(24)12(7)10(22)4-9/h2-4,22,24,26,28-29H,5-6H2,1H3,(H2,21,27)/t19-,20+/m0/s1
InChIKeyHWLAJZAXDIBLQS-VQTJNVASSA-N
Species of MetaboliteComponentSourceComments
Clonostachys rosea f. catenulata (ncbitaxon:62888) - PubMed (7682212)
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)
Anthrotainin (CHEBI:223113) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4aS,12aS)-1,4a,10,11,12a-pentahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide
Manual XrefsDatabases
57524774ChemSpider