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CHEBI:197824 - Naphthomycin A

ChEBI IDCHEBI:197824
ChEBI NameNaphthomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H46ClNO9
Net Charge0
Average Mass720.259
Monoisotopic Mass719.28611
SMILESC/C1=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)c2c(O)c(C)cc3c2C(=O)C(Cl)=C(NC1=O)C3=O
InChIInChI=1S/C40H46ClNO9/c1-20-11-9-8-10-12-23(4)40(51)42-34-33(41)39(50)31-28(38(34)49)18-26(7)37(48)32(31)36(47)25(6)17-24(5)35(46)22(3)14-16-27(43)15-13-21(2)30(45)19-29(20)44/h8-14,16-18,20,22,24,27,29,35,43-44,46,48H,15,19H2,1-7H3,(H,42,51)/b10-8-,11-9+,16-14+,21-13+,23-12-,25-17+/t20-,22-,24-,27-,29-,35-/m0/s1
InChIKeyAXEGRHYJHHPVDH-UMKVKWLOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (805115)
ChEBI Ontology
Outgoing Relation(s)
Naphthomycin A (CHEBI:197824) is a azamacrocycle (CHEBI:52898)
Naphthomycin A (CHEBI:197824) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-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
Manual XrefsDatabases
28644765ChemSpider