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CHEBI:210508 - Gladiolin

ChEBI IDCHEBI:210508
ChEBI NameGladiolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H76O10
Net Charge0
Average Mass777.093
Monoisotopic Mass776.54385
SMILESCO[C@@H]1C/C=C\C=C\C[C@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@H](O)CC(=O)O[C@H]([C@H](C)[C@H](C)/C=C(\C)CC/C=C/C=C/CC(O)CC(C)CCC(=O)O)C[C@H](O)CCC1
InChIInChI=1S/C45H76O10/c1-31(18-13-9-8-10-15-20-37(46)27-32(2)24-25-44(51)52)26-34(4)35(5)43-28-38(47)21-17-23-39(54-7)22-16-12-11-14-19-33(3)40(48)29-41(49)36(6)42(50)30-45(53)55-43/h8-12,14-16,26,32-43,46-50H,13,17-25,27-30H2,1-7H3,(H,51,52)/b9-8+,14-11+,15-10+,16-12-,31-26+/t32?,33-,34+,35+,36-,37?,38+,39+,40-,41+,42+,43-/m0/s1
InChIKeyQOJUVWWXRXLGFG-WIDAHPLTSA-N
Species of MetaboliteComponentSourceComments
Burkholderia (ncbitaxon:32008) - PubMed (28528545)
ChEBI Ontology
Outgoing Relation(s)
Gladiolin (CHEBI:210508) is a lipid (CHEBI:18059)
IUPAC Name 
(8E,10E,14E,16R,17R)-6-hydroxy-4,14,16-trimethyl-17-[(2S,4R,8S,10Z,12E,15S,16S,18R,19S,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,19-dimethyl-22-oxo-1-oxacyclodocosa-10,12-dien-2-yl]octadeca-8,10,14-trienoic acid
Manual XrefsDatabases
78440583ChemSpider