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CHEBI:208541 - 2-methyl-11,11′-O-dimethylelaiophylin

ChEBI IDCHEBI:208541
ChEBI Name2-methyl-11,11′-O-dimethylelaiophylin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H94O18
Net Charge0
Average Mass1067.361
Monoisotopic Mass1066.64402
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](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/C57H94O18/c1-16-40-36(10)74-56(66-14,27-44(40)70-47-25-42(58)51(63)38(12)68-47)34(8)49(61)32(6)53-30(4)22-20-23-31(5)55(65)73-54(29(3)21-18-19-24-46(60)72-53)33(7)50(62)35(9)57(67-15)28-45(41(17-2)37(11)75-57)71-48-26-43(59)52(64)39(13)69-48/h18-24,29-30,32-45,47-54,58-59,61-64H,16-17,25-28H2,1-15H3/b21-18+,22-20+,24-19+,31-23+/t29-,30-,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42-,43-,44+,45+,47-,48-,49+,50+,51+,52+,53-,54-,56+,57+/m0/s1
InChIKeyNPVBBQBSNPUXPX-CIYGRLDZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies ICBB 9297 (ncbitaxon:1676752) - PubMed (26510047)
ChEBI Ontology
Outgoing Relation(s)
2-methyl-11,11′-O-dimethylelaiophylin (CHEBI:208541) 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-methoxy-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
58918816ChemSpider