EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182468 - [(1R,2S,4S,6R,7S,9S,11R,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.04,6.07,9]pentadecan-2-yl] (Z)-2-methylbut-2-enoate

ChEBI IDCHEBI:182468
ChEBI Name[(1R,2S,4S,6R,7S,9S,11R,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.04,6.07,9]pentadecan-2-yl] (Z)-2-methylbut-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O7
Net Charge0
Average Mass376.405
Monoisotopic Mass376.15220
SMILES[H][C@]12O[C@@]1(C)C[C@H](OC(=O)/C(C)=C\C)[C@@]1([H])C(=C)C(=O)O[C@]1([H])[C@H](O)C(=C)[C@@H]1O[C@@H]12
InChIInChI=1S/C20H24O7/c1-6-8(2)18(22)24-11-7-20(5)17(27-20)16-14(25-16)10(4)13(21)15-12(11)9(3)19(23)26-15/h6,11-17,21H,3-4,7H2,1-2,5H3/b8-6-/t11-,12+,13+,14-,15-,16-,17+,20-/m0/s1
InChIKeyRKAXEWSQYMGBAP-UVEFBYLCSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1R,2S,4S,6R,7S,9S,11R,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.04,6.07,9]pentadecan-2-yl] (Z)-2-methylbut-2-enoate (CHEBI:182468) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(1R,2S,4S,6R,7S,9S,11R,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.04,6.07,9]pentadecan-2-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
22913246ChemSpider