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CHEBI:215162 - 2-epi-lyngbyaloside

ChEBI IDCHEBI:215162
ChEBI Name2-epi-lyngbyaloside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H49BrO10
Net Charge0
Average Mass661.627
Monoisotopic Mass660.25091
SMILESCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@@H]2C[C@H]3O[C@@](O)(C2)[C@@H](C)C(=O)O[C@@H](C=CC=CBr)C[C@@H](C)C/C=C\[C@H](O)[C@@H]3C)[C@@H]1OC
InChIInChI=1S/C31H49BrO10/c1-18-11-10-13-24(33)19(2)25-16-23(41-30-28(38-7)27(37-6)26(36-5)21(4)39-30)17-31(35,42-25)20(3)29(34)40-22(15-18)12-8-9-14-32/h8-10,12-14,18-28,30,33,35H,11,15-17H2,1-7H3/b12-8?,13-10-,14-9?/t18-,19-,20-,21-,22-,23+,24-,25+,26-,27+,28+,30-,31-/m0/s1
InChIKeyOFJHCMSOFLCMIT-HSIRTTEUSA-N
Species of MetaboliteComponentSourceComments
Moorena bouillonii (ncbitaxon:207920) - PubMed (20704304)
ChEBI Ontology
Outgoing Relation(s)
2-epi-lyngbyaloside (CHEBI:215162) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2R,5R,7S,9Z,11S,12S,13R,15R)-5-(4-bromobuta-1,3-dienyl)-1,11-dihydroxy-2,7,12-trimethyl-15-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4,17-dioxabicyclo[11.3.1]heptadec-9-en-3-one