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CHEBI:175563 - 2,9-Bis(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one

ChEBI IDCHEBI:175563
ChEBI Name2,9-Bis(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O5
Net Charge0
Average Mass442.596
Monoisotopic Mass442.27192
SMILESC=C1C(OC(=O)/C=C(\C)CC)CC(C(C)C)C2/C(=C/C)C(=O)C(OC(=O)/C=C(/C)CC)C12
InChIInChI=1S/C27H38O5/c1-9-16(6)12-22(28)31-21-14-20(15(4)5)25-19(11-3)26(30)27(24(25)18(21)8)32-23(29)13-17(7)10-2/h11-13,15,20-21,24-25,27H,8-10,14H2,1-7H3/b16-12+,17-13-,19-11-
InChIKeyJIHQHYGTRUPAHN-PISIAACCSA-N
ChEBI Ontology
Outgoing Relation(s)
2,9-Bis(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one (CHEBI:175563) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1Z)-1-ethylidene-4-methylidene-3-[(Z)-3-methylpent-2-enoyl]oxy-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate
Manual XrefsDatabases
HMDB0034065HMDB
35013694ChemSpider