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CHEBI:200383 - 2,2'-dimethyl-11,11′-O-dimethylelaiophylin

ChEBI IDCHEBI:200383
ChEBI Name2,2'-dimethyl-11,11′-O-dimethylelaiophylin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H96O18
Net Charge0
Average Mass1081.388
Monoisotopic Mass1080.65967
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/[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/C58H96O18/c1-17-41-37(11)75-57(67-15,27-45(41)71-47-25-43(59)51(63)39(13)69-47)35(9)49(61)33(7)53-29(3)21-19-23-32(6)56(66)74-54(30(4)22-20-24-31(5)55(65)73-53)34(8)50(62)36(10)58(68-16)28-46(42(18-2)38(12)76-58)72-48-26-44(60)52(64)40(14)70-48/h19-24,29-30,33-54,59-64H,17-18,25-28H2,1-16H3/b21-19+,22-20+,31-24+,32-23+/t29-,30-,33-,34-,35-,36-,37+,38+,39-,40-,41+,42+,43-,44-,45+,46+,47-,48-,49+,50+,51+,52+,53-,54-,57+,58+/m0/s1
InChIKeyGKDHISIDBBZSEK-DLMPKTPHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies ICBB 9297 (ncbitaxon:1676752) - PubMed (26510047)
ChEBI Ontology
Outgoing Relation(s)
2,2'-dimethyl-11,11′-O-dimethylelaiophylin (CHEBI:200383) 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]-3,7,11,15-tetramethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
Manual XrefsDatabases
58921157ChemSpider