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CHEBI:200912 - C-17-epi-Deoxy-0,8-salinomycin

ChEBI IDCHEBI:200912
ChEBI NameC-17-epi-Deoxy-0,8-salinomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H70O11
Net Charge0
Average Mass751.011
Monoisotopic Mass750.49181
SMILESCC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1OC2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C
InChIInChI=1S/C42H70O11/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)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41?,42-/m0/s1
InChIKeyKQXDHUJYNAXLNZ-IBKCOUPJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces albus (ncbitaxon:1888) - PubMed (893229)
ChEBI Ontology
Outgoing Relation(s)
C-17-epi-Deoxy-0,8-salinomycin (CHEBI:200912) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,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]butanoic acid
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