EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206326 - Leptolyngbyolide A

ChEBI IDCHEBI:206326
ChEBI NameLeptolyngbyolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H76O15
Net Charge0
Average Mass869.099
Monoisotopic Mass868.51842
SMILESCO[C@H]1C[C@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C(C)=C/C[C@H](O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]3C=CC[C@@H](C[C@H](OC)[C@@]4(CO4)[C@@H](OC)C[C@@H](OC)[C@@H]2C)O3)O[C@@H](C)C1
InChIInChI=1S/C46H76O15/c1-26-13-16-34(60-45-43(51)42(50)36(47)24-56-45)20-31-11-10-12-32(59-31)22-38(54-8)46(25-57-46)39(55-9)23-37(53-7)29(4)44(61-40(48)18-14-26)30(5)41(49)27(2)15-17-33-21-35(52-6)19-28(3)58-33/h10-11,13-14,18,27-39,41-45,47,49-51H,12,15-17,19-25H2,1-9H3/b18-14+,26-13+/t27-,28-,29-,30-,31-,32-,33-,34-,35+,36+,37+,38-,39-,41-,42-,43+,44-,45+,46-/m0/s1
InChIKeyWQAGYQWCNZVPBH-NMCKKDOKSA-N
Species of MetaboliteComponentSourceComments
Leptolyngbyaspecies (ncbitaxon:47254) - PubMed (28422340)
ChEBI Ontology
Outgoing Relation(s)
Leptolyngbyolide A (CHEBI:206326) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,3S,5E,7E,11R,12S,13R,15S,16S,17S,19S)-11-[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-13,15,17-trimethoxy-6,12-dimethyl-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[10,23-dioxabicyclo[17.3.1]tricosa-5,7,21-triene-16,2'-oxirane]-9-one
Manual XrefsDatabases
61708737ChemSpider