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CHEBI:218041 - Nocardicyclin A

ChEBI IDCHEBI:218041
ChEBI NameNocardicyclin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H35NO11
Net Charge0
Average Mass585.606
Monoisotopic Mass585.22101
SMILESCOc1ccc(O)c2c1C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@H]1C[C@](C)(N(C)C)[C@H](O)[C@H](C)O1)[C@@H](OC)[C@@](C)(O)C3=O
InChIInChI=1S/C30H35NO11/c1-12-26(36)29(2,31(4)5)11-17(41-12)42-25-19-14(27(37)30(3,38)28(25)40-7)10-13-18(23(19)34)24(35)20-15(32)8-9-16(39-6)21(20)22(13)33/h8-10,12,17,25-26,28,32,34,36,38H,11H2,1-7H3/t12-,17-,25+,26+,28+,29-,30-/m0/s1
InChIKeyVOWLRGXRNLYFMV-BSDPKGMPSA-N
Species of MetaboliteComponentSourceComments
Nocardia pseudobrasiliensis (ncbitaxon:45979) - PubMed (9402986)
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)
Nocardicyclin A (CHEBI:218041) is a anthracycline (CHEBI:48120)
IUPAC Name 
(2R,3R,4R)-4-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-2,5,7-trihydroxy-3,10-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Manual XrefsDatabases
2334371ChemSpider