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CHEBI:221252 - MC-034

ChEBI IDCHEBI:221252
ChEBI NameMC-034
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SubmitterMetaboLights
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FormulaC49H61ClO17
Net Charge0
Average Mass957.463
Monoisotopic Mass956.35973
SMILESCc1c(Cl)ccc(O)c1C(=O)O[C@H]1[C@H](O)C[C@H](O[C@H]2[C@H](O)C(O)[C@H](O[C@H]3CCC[C@@H]4[C@@H]3C=C[C@H]3CCCC/C=C\[C@@H]5C=C(C(=O)O)[C@H](C)CC56OC(=O)C(=C6O)OC(=O)[C@@]43C)O[C@@H]2C)O[C@@H]1C
InChIInChI=1S/C49H61ClO17/c1-22-21-49-27(19-29(22)43(56)57)12-9-7-6-8-11-26-15-16-28-30(48(26,5)47(60)66-41(42(49)55)45(59)67-49)13-10-14-34(28)63-46-38(54)37(53)40(25(4)62-46)64-35-20-33(52)39(24(3)61-35)65-44(58)36-23(2)31(50)17-18-32(36)51/h9,12,15-19,22,24-28,30,33-35,37-40,46,51-55H,6-8,10-11,13-14,20-21H2,1-5H3,(H,56,57)/b12-9-/t22-,24-,25-,26-,27-,28+,30-,33-,34+,35+,37-,38?,39-,40-,46+,48-,49?/m1/s1
InChIKeyGDKOCPOPNXYMKU-ITKXNXJMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1556012)
ChEBI Ontology
Outgoing Relation(s)
MC-034 (CHEBI:221252) is a macrolide (CHEBI:25106)
IUPAC Name 
(3R,6R,7Z,13R,16S,17S,21R,22R)-17-[(2R,4R,5S,6R)-5-[(2S,4R,5S,6R)-5-(3-chloro-6-hydroxy-2-methylbenzoyl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid
Manual XrefsDatabases
68024828ChemSpider