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CHEBI:205369 - Lyngbouilloside

ChEBI IDCHEBI:205369
ChEBI NameLyngbouilloside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52O10
Net Charge0
Average Mass584.747
Monoisotopic Mass584.35605
SMILESCC/C=C/C=C/CCC1(C)C[C@H](O)[C@H](C)CC[C@H]2C[C@@H](OC3O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]3OC)C[C@@](O)(CC(=O)O1)O2
InChIInChI=1S/C31H52O10/c1-7-8-9-10-11-12-15-30(4)18-24(32)20(2)13-14-22-16-23(17-31(35,40-22)19-25(33)41-30)39-29-28(37-6)26(34)27(36-5)21(3)38-29/h8-11,20-24,26-29,32,34-35H,7,12-19H2,1-6H3/b9-8+,11-10+/t20-,21+,22+,23-,24+,26-,27+,28-,29?,30?,31+/m1/s1
InChIKeyYYWHCGARYFKWST-HIXALPDUSA-N
Species of MetaboliteComponentSourceComments
Moorena bouillonii (ncbitaxon:207920) - PubMed (12088441)
ChEBI Ontology
Outgoing Relation(s)
Lyngbouilloside (CHEBI:205369) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,7S,8R,11S,13R)-1,7-dihydroxy-13-[(3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-5,8-dimethyl-5-[(3E,5E)-octa-3,5-dienyl]-4,15-dioxabicyclo[9.3.1]pentadecan-3-one
Manual XrefsDatabases
78439699ChemSpider