EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200767 - Cyanolide A

ChEBI IDCHEBI:200767
ChEBI NameCyanolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H72O16
Net Charge0
Average Mass833.022
Monoisotopic Mass832.48204
SMILESCC[C@@H]1C[C@@H]2C[C@H](O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OC)C(C)(C)[C@H](CC(=O)O[C@H](CC)C[C@@H]3C[C@H](O[C@@H]4OC[C@@H](OC)[C@H](OC)[C@H]4OC)C(C)(C)[C@H](CC(=O)O1)O3)O2
InChIInChI=1S/C42H72O16/c1-13-23-15-25-17-29(57-39-37(49-11)35(47-9)27(45-7)21-51-39)41(3,4)32(53-25)20-34(44)56-24(14-2)16-26-18-30(42(5,6)31(54-26)19-33(43)55-23)58-40-38(50-12)36(48-10)28(46-8)22-52-40/h23-32,35-40H,13-22H2,1-12H3/t23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,35+,36+,37-,38-,39+,40+/m1/s1
InChIKeyDLSUXMZHOIJLGM-MNCMQQDLSA-N
Species of MetaboliteComponentSourceComments
Moorena bouillonii (ncbitaxon:207920) - PubMed (20131814)
ChEBI Ontology
Outgoing Relation(s)
Cyanolide A (CHEBI:200767) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,5R,7R,9S,11S,15R,17R,19S)-5,15-diethyl-10,10,20,20-tetramethyl-9,19-bis[[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione
Manual XrefsDatabases
24675873ChemSpider