EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182053 - 1-O-methyl 4-O-[[(5R,9S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] butanedioate

ChEBI IDCHEBI:182053
ChEBI Name1-O-methyl 4-O-[[(5R,9S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] butanedioate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O4
Net Charge0
Average Mass402.575
Monoisotopic Mass402.27701
SMILESCOC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)C3CC[C@]4(C)C=CC3(CCC12)C4
InChIInChI=1S/C25H38O4/c1-22-12-8-19-24(3)11-5-10-23(2,17-29-21(27)7-6-20(26)28-4)18(24)9-13-25(19,16-22)15-14-22/h14-15,18-19H,5-13,16-17H2,1-4H3/t18?,19?,22-,23+,24-,25?/m1/s1
InChIKeyCNEWEMXPRRKCTL-ZTHVCKICSA-N
ChEBI Ontology
Outgoing Relation(s)
1-O-methyl 4-O-[[(5R,9S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] butanedioate (CHEBI:182053) is a diterpenoid (CHEBI:23849)
IUPAC Name 
1-O-methyl 4-O-[[(5R,9S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] butanedioate
Manual XrefsDatabases
22913777ChemSpider