CHEBI:199224 - Clostomicin D

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ChEBI Name Clostomicin D
ChEBI ID CHEBI:199224
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C53H74Cl2O18
Net Charge 0
Average Mass 1070.060
Monoisotopic Mass 1068.42522
InChI InChI=1S/C53H74Cl2O18/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)46(30)71-51-45(64)44(63)48(53(10,11)73-51)72-49(65)24(3)4/h15-17,19,21-22,24,29-30,33-35,40,42,44-48,51-52,57-59,61-64H,13-14,18,20,23H2,1-12H3/b16-15-,25-19-,26-22-,27-21-,31-17-
InChIKey PACCFRQWWUTQDP-JCXAYPELSA-N
SMILES ClC1=C(O)C(Cl)=C(CC)C(=C1O)C(=O)C(O)C2C(O)C(OC)C(OCC=3C(=O)OC(C(=O)C)CC=C(C=C(C(OC4OC(C(OC(=O)C(C)C)C(C4O)O)(C)C)C(C=C(C(CC=CC3)O)C)CC)C)C)OC2C
Metabolite of Species Details
Micromonospora echinospora (NCBI:txid1877) See: PubMed
ChEBI Ontology
Outgoing Clostomicin D (CHEBI:199224) 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-2,2-dimethyloxan-3-yl] 2-methylpropanoate
Manual Xref Database
78443906 ChemSpider
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