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CHEBI:175477 - 2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one

ChEBI IDCHEBI:175477
ChEBI Name2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O5
Net Charge0
Average Mass428.569
Monoisotopic Mass428.25627
SMILESC=C1C(OC(=O)/C=C(\C)CC)CC(C(C)C)C2/C(=C/C)C(=O)C(OC(=O)/C(C)=C\C)C12
InChIInChI=1S/C26H36O5/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/h10-12,14,19-20,22-23,25H,8-9,13H2,1-7H3/b15-12+,16-10-,18-11-
InChIKeyFBGUGCFBJJKKCK-AHFXLWIPSA-N
ChEBI Ontology
Outgoing Relation(s)
2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one (CHEBI:175477) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1Z)-1-ethylidene-3-[(Z)-2-methylbut-2-enoyl]oxy-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate
Manual XrefsDatabases
HMDB0034064HMDB
35013693ChemSpider