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CHEBI:211259 - Nocardicyclin B

ChEBI IDCHEBI:211259
ChEBI NameNocardicyclin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H37NO12
Net Charge0
Average Mass627.643
Monoisotopic Mass627.23158
SMILESCOc1ccc(O)c2c1C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@H]1C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O1)[C@@H](OC)[C@@](C)(O)C3=O
InChIInChI=1S/C32H37NO12/c1-13-29(44-14(2)34)31(3,33(5)6)12-19(43-13)45-27-21-16(28(39)32(4,40)30(27)42-8)11-15-20(25(21)37)26(38)22-17(35)9-10-18(41-7)23(22)24(15)36/h9-11,13,19,27,29-30,35,37,40H,12H2,1-8H3/t13-,19-,27+,29+,30+,31-,32-/m0/s1
InChIKeyKSIJUTXUYOOHKG-WAPWPLBUSA-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 B (CHEBI:211259) is a anthracycline (CHEBI:48120)
IUPAC Name 
[(2S,3S,4S,6S)-4-(dimethylamino)-2,4-dimethyl-6-[[(1R,2R,3R)-3,10,12-trihydroxy-2,7-dimethoxy-3-methyl-4,6,11-trioxo-1,2-dihydrotetracen-1-yl]oxy]oxan-3-yl] acetate
Manual XrefsDatabases
8614388ChemSpider