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CHEBI:198554 - Clostomicin C

ChEBI IDCHEBI:198554
ChEBI NameClostomicin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC52H72Cl2O18
Net Charge0
Average Mass1056.036
Monoisotopic Mass1054.40957
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(OC(=O)C(C)C)C(O)C3O)/C(C)=C\C(C)=C/CC(C(C)=O)OC2=O)C(OC)C1O
InChIInChI=1S/C52H72Cl2O18/c1-12-30-21-25(6)33(56)17-15-14-16-31(22-67-52-48(66-11)42(60)35(28(9)68-52)40(58)41(59)36-32(13-2)37(53)43(61)38(54)39(36)57)50(65)70-34(27(8)55)19-18-24(5)20-26(7)46(30)72-51-45(63)44(62)47(29(10)69-51)71-49(64)23(3)4/h14-16,18,20-21,23,28-30,33-35,40,42,44-48,51-52,56-58,60-63H,12-13,17,19,22H2,1-11H3/b15-14-,24-18-,25-21-,26-20-,31-16-
InChIKeyHRNYDBBRIZKVLO-VDMRXWSJSA-N
Species of MetaboliteComponentSourceComments
Micromonospora echinospora (ncbitaxon:1877) - PubMed (3781911)
ChEBI Ontology
Outgoing Relation(s)
Clostomicin C (CHEBI:198554) is a macrolide (CHEBI:25106)
IUPAC Name 
[6-[[(4Z,6Z,10Z,14Z,16Z)-2-acetyl-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-5,7,11-trimethyl-18-oxo-1-oxacyclooctadeca-4,6,10,14,16-pentaen-8-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] 2-methylpropanoate
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78443882ChemSpider