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CHEBI:220846 - Naphthomycin F

ChEBI IDCHEBI:220846
ChEBI NameNaphthomycin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H56N2O12S
Net Charge0
Average Mass861.023
Monoisotopic Mass860.35540
SMILESCOC(=O)[C@H](CSC1=C2NC(=O)/C(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)NC(C)=O
InChIInChI=1S/C46H56N2O12S/c1-23-13-11-10-12-14-26(4)45(58)48-38-42(56)32-20-29(7)41(55)37(36(32)43(57)44(38)61-22-33(46(59)60-9)47-30(8)49)40(54)28(6)19-27(5)39(53)25(3)16-18-31(50)17-15-24(2)35(52)21-34(23)51/h10-16,18-20,23,25,27,31,33-34,39,50-51,53,55H,17,21-22H2,1-9H3,(H,47,49)(H,48,58)/b12-10-,13-11+,18-16+,24-15+,26-14-,28-19+/t23-,25-,27-,31-,33-,34-,39-/m0/s1
InChIKeyPHYCYDGQUYYBOJ-MRMPJBOISA-N
Species of MetaboliteComponentSourceComments
Agaricus urinascens (ncbitaxon:2082589) - DOI (10.1002/hlca.19860690610)
ChEBI Ontology
Outgoing Relation(s)
Naphthomycin F (CHEBI:220846) is a azamacrocycle (CHEBI:52898)
Naphthomycin F (CHEBI:220846) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
methyl (2R)-2-acetamido-3-[[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]sulanyl]propanoate
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