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CHEBI:219823 - Naphthomycin K

ChEBI IDCHEBI:219823
ChEBI NameNaphthomycin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H45NO11
Net Charge0
Average Mass703.785
Monoisotopic Mass703.29926
SMILESC/C1=C\C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](CO)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(=O)C(=C3O)NC(=O)/C=C\C=C\C=C/[C@H](C)[C@@H](O)CC1=O
InChIInChI=1S/C39H45NO11/c1-20-10-8-6-7-9-11-30(45)40-33-37(49)27-17-24(5)36(48)32(31(27)38(50)39(33)51)35(47)23(4)16-25(19-41)34(46)22(3)13-15-26(42)14-12-21(2)29(44)18-28(20)43/h6-13,15-17,20,22,25-26,28,34,41-43,46,48-49H,14,18-19H2,1-5H3,(H,40,45)/b7-6+,10-8-,11-9-,15-13+,21-12+,23-16+/t20-,22-,25+,26-,28-,34-/m0/s1
InChIKeyNDPMXTPKMIGGDH-VBRUNEHNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (10513843)
ChEBI Ontology
Outgoing Relation(s)
Naphthomycin K (CHEBI:219823) is a azamacrocycle (CHEBI:52898)
Naphthomycin K (CHEBI:219823) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(7E,9R,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-4,10,14,20,34-pentahydroxy-9-(hydroxymethyl)-3,7,11,17,21-pentamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone