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CHEBI:219047 - Lyngbyaloside

ChEBI IDCHEBI:219047
ChEBI NameLyngbyaloside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H49BrO10
Net Charge0
Average Mass661.627
Monoisotopic Mass660.25091
SMILESCO[C@@H]1[C@H](OC)[C@@H](O[C@H]2C[C@@H]3O[C@](O)(C2)C(C)C(=O)OC(/C=C/C=C/Br)CC(C)/C=C\CC(O)C3C)O[C@H](C)[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/h8-12,14,18-28,30,33,35H,13,15-17H2,1-7H3/b11-10-,12-8+,14-9+/t18?,19?,20?,21-,22?,23+,24?,25+,26-,27+,28+,30-,31-/m1/s1
InChIKeyRXKHKYLAQKUTIR-JFFWIJAFSA-N
Species of MetaboliteComponentSourceComments
Moorena bouillonii (ncbitaxon:207920) - DOI (10.1021/np9702751)
ChEBI Ontology
Outgoing Relation(s)
Lyngbyaloside (CHEBI:219047) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,8Z,13S,15S)-5-[(1E,3E)-4-bromobuta-1,3-dienyl]-1,11-dihydroxy-2,7,12-trimethyl-15-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4,17-dioxabicyclo[11.3.1]heptadec-8-en-3-one
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