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CHEBI:212294 - 2-methylelaiophylin

ChEBI IDCHEBI:212294
ChEBI Name2-methylelaiophylin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H90O18
Net Charge0
Average Mass1039.307
Monoisotopic Mass1038.61272
SMILESCC[C@@H]1[C@@H](C)O[C@@](O)([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(O)C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](CC)[C@@H](C)O3)OC(=O)/C(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/c1-14-38-34(10)72-54(64,25-42(38)68-45-23-40(56)49(61)36(12)66-45)32(8)47(59)30(6)51-28(4)20-18-21-29(5)53(63)71-52(27(3)19-16-17-22-44(58)70-51)31(7)48(60)33(9)55(65)26-43(39(15-2)35(11)73-55)69-46-24-41(57)50(62)37(13)67-46/h16-22,27-28,30-43,45-52,56-57,59-62,64-65H,14-15,23-26H2,1-13H3/b19-16+,20-18+,22-17+,29-21+/t27-,28-,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40-,41-,42+,43+,45-,46-,47+,48+,49+,50+,51-,52-,54+,55+/m0/s1
InChIKeyLMEAUGPRDIBMKA-VKZYWMMMSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies ICBB 9297 (ncbitaxon:1676752) - PubMed (26510047)
ChEBI Ontology
Outgoing Relation(s)
2-methylelaiophylin (CHEBI:212294) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-2-hydroxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-3,7,15-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
Manual XrefsDatabases
78438002ChemSpider