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CHEBI:201415 - Salinomycin Sodium

ChEBI IDCHEBI:201415
ChEBI NameSalinomycin Sodium
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SubmitterMetaboLights
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FormulaC42H69O11.Na
Net Charge0
Average Mass772.993
Monoisotopic Mass772.47376
SMILESCCC(C(=O)[O-])C1CCC(C)C(C(C)C(O)C(C)C(=O)C(CC)C2OC3(C=CC(O)C4(CCC(C)(C5CCC(O)(CC)C(C)O5)O4)O3)C(C)CC2C)O1.[Na+]
InChIInChI=1S/C42H70O11.Na/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33;/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47);/q;+1/p-1
InChIKeyYPZYGIQXBGHDBH-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Salinomycin Sodium (CHEBI:201415) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
sodium;(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoate
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