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CHEBI:220008 - 11,11′-O,O-dimethyl-14′-deethyl-14′-methylelaiophylin

ChEBI IDCHEBI:220008
ChEBI Name11,11′-O,O-dimethyl-14′-deethyl-14′-methylelaiophylin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H90O18
Net Charge0
Average Mass1039.307
Monoisotopic Mass1038.61272
SMILESCC[C@@H]1[C@@H](C)O[C@@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]3(OC)C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)[C@@H](C)O3)OC(=O)/C=C/C=C/[C@@H]2C)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1
InChIInChI=1S/C55H90O18/c1-15-39-36(10)73-55(65-14,27-43(39)69-47-25-41(57)51(63)38(12)67-47)34(8)49(61)32(6)53-29(3)21-17-19-22-44(58)70-52(28(2)20-16-18-23-45(59)71-53)31(5)48(60)33(7)54(64-13)26-42(30(4)35(9)72-54)68-46-24-40(56)50(62)37(11)66-46/h16-23,28-43,46-53,56-57,60-63H,15,24-27H2,1-14H3/b20-16+,21-17+,22-19+,23-18+/t28-,29-,30+,31-,32-,33-,34-,35+,36+,37-,38-,39+,40-,41-,42+,43+,46-,47-,48+,49+,50+,51+,52-,53-,54+,55+/m0/s1
InChIKeyHQMHAVMTXIYJJU-NAOSCMJHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies ICBB 9297 (ncbitaxon:1676752) - PubMed (24164206)
ChEBI Ontology
Outgoing Relation(s)
11,11′-O,O-dimethyl-14′-deethyl-14′-methylelaiophylin (CHEBI:220008) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5E,7S,8S,11E,13E,15S,16S)-8-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-2-methoxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-16-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methoxy-5,6-dimethyloxan-2-yl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
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