EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175489 - 2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one

ChEBI IDCHEBI:175489
ChEBI Name2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O5
Net Charge0
Average Mass430.585
Monoisotopic Mass430.27192
SMILESC=C1C(OC(=O)/C=C(\C)CC)CC(C(C)C)C2/C(=C/C)C(=O)C(OC(=O)C(C)CC)C12
InChIInChI=1S/C26H38O5/c1-9-15(6)12-21(27)30-20-13-19(14(4)5)23-18(11-3)24(28)25(22(23)17(20)8)31-26(29)16(7)10-2/h11-12,14,16,19-20,22-23,25H,8-10,13H2,1-7H3/b15-12+,18-11-
InChIKeyXTQQLVJPORCMAK-XIMUYODMSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one (CHEBI:175489) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1Z)-1-ethylidene-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate
Manual XrefsDatabases
HMDB0040994HMDB
35015068ChemSpider