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CHEBI:224905 - Naphthoquinomycin A

ChEBI IDCHEBI:224905
ChEBI NameNaphthoquinomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H47NO10
Net Charge0
Average Mass701.813
Monoisotopic Mass701.32000
SMILESCOC1=C2NC(=O)/C=C/C=C\C=C\[C@@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(/C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O
InChIInChI=1S/C40H47NO10/c1-21-12-10-8-9-11-13-31(45)41-34-38(49)28-19-26(6)37(48)33(32(28)39(50)40(34)51-7)36(47)25(5)18-24(4)35(46)23(3)15-17-27(42)16-14-22(2)30(44)20-29(21)43/h8-15,17-19,21,23-24,27,29,35,42-43,46,48H,16,20H2,1-7H3,(H,41,45)/b9-8-,12-10+,13-11+,17-15+,22-14+,25-18-/t21-,23+,24+,27-,29+,35+/m1/s1
InChIKeyLTHCNGAEDWPRCS-NCZWOVHDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3512505)
ChEBI Ontology
Outgoing Relation(s)
Naphthoquinomycin A (CHEBI:224905) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(7Z,9S,10S,11S,12E,14R,16E,20S,21R,22E,24Z,26E)-4,10,14,20-tetrahydroxy-31-methoxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone