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CHEBI:207940 - 11′,12′-dehydroelaiophylin

ChEBI IDCHEBI:207940
ChEBI Name11′,12′-dehydroelaiophylin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H86O17
Net Charge0
Average Mass1007.265
Monoisotopic Mass1006.58650
SMILESCC[C@@H]1[C@@H](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(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@@H]2C)=C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1
InChIInChI=1S/C54H86O17/c1-13-37-33(9)64-41(25-42(37)67-46-23-39(55)50(61)35(11)65-46)29(5)48(59)30(6)52-27(3)19-15-17-22-45(58)70-53(28(4)20-16-18-21-44(57)69-52)31(7)49(60)32(8)54(63)26-43(38(14-2)34(10)71-54)68-47-24-40(56)51(62)36(12)66-47/h15-22,25,27-40,42-43,46-53,55-56,59-63H,13-14,23-24,26H2,1-12H3/b19-15+,20-16+,21-18+,22-17+/t27-,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39-,40-,42+,43+,46-,47-,48-,49+,50+,51+,52-,53-,54+/m0/s1
InChIKeyOSJLHWZHXOEYPJ-JRNNISHJSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 7-145 (ncbitaxon:1163280) - PubMed (24164206)
ChEBI Ontology
Outgoing Relation(s)
11′,12′-dehydroelaiophylin (CHEBI:207940) 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-hydroxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-16-[(2S,3R,4S)-4-[(2R,3R,4S)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-methyl-3,4-dihydro-2H-pyran-6-yl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
Manual XrefsDatabases
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