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CHEBI:220014 - Clostomicin A

ChEBI IDCHEBI:220014
ChEBI NameClostomicin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC53H76Cl2O18
Net Charge0
Average Mass1072.079
Monoisotopic Mass1070.44087
SMILESCCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)C(O)C1C(C)OC(OC/C2=C/C=C\CC(O)/C(C)=C\C(CC)C(OC3OC(C)(C)C(O)C(OC(=O)C(C)C)C3O)/C(C)=C\C(C)=C/CC(C(C)O)OC2=O)C(OC)C1O
InChIInChI=1S/C53H76Cl2O18/c1-13-30-22-26(6)33(57)18-16-15-17-31(23-68-52-47(67-12)42(61)35(29(9)69-52)40(59)41(60)36-32(14-2)37(54)43(62)38(55)39(36)58)50(66)70-34(28(8)56)20-19-25(5)21-27(7)45(30)72-51-44(63)46(71-49(65)24(3)4)48(64)53(10,11)73-51/h15-17,19,21-22,24,28-30,33-35,40,42,44-48,51-52,56-59,61-64H,13-14,18,20,23H2,1-12H3/b16-15-,25-19-,26-22-,27-21-,31-17-
InChIKeyZQYKLFIXKFUDPN-JCXAYPELSA-N
Species of MetaboliteComponentSourceComments
Micromonospora echinospora (ncbitaxon:1877) - PubMed (3781911)
ChEBI Ontology
Outgoing Relation(s)
Clostomicin A (CHEBI:220014) is a macrolide (CHEBI:25106)
IUPAC Name 
[6-[[(4Z,6Z,10Z,14Z,16Z)-17-[[5-[2-(3,5-dichloro-2-ethyl-4,6-dihydroxyphenyl)-1-hydroxy-2-oxoethyl]-4-hydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-9-ethyl-12-hydroxy-2-(1-hydroxyethyl)-5,7,11-trimethyl-18-oxo-1-oxacyclooctadeca-4,6,10,14,16-pentaen-8-yl]oxy]-3,5-dihydroxy-2,2-dimethyloxan-4-yl] 2-methylpropanoate
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