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CHEBI:175397 - 3-Oxo-6b-angeloyloxy-7(11)-eremophilen-12,8a-olide

ChEBI IDCHEBI:175397
ChEBI Name3-Oxo-6b-angeloyloxy-7(11)-eremophilen-12,8a-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESC/C=C(\C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(=O)C(C)C21C
InChIInChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-11(3)19(23)24-15(16)9-13-7-8-14(21)12(4)20(13,17)5/h6,12-13,15,17H,7-9H2,1-5H3/b10-6+
InChIKeyXAFKFWYINJYQAJ-UXBLZVDNSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Oxo-6b-angeloyloxy-7(11)-eremophilen-12,8a-olide (CHEBI:175397) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3,4a,5-trimethyl-2,6-dioxo-5,7,8,8a,9,9a-hexahydro-4H-benzo[][1]benzouran-4-yl) (E)-2-methylbut-2-enoate
Manual XrefsDatabases
HMDB0032896HMDB
35013515ChemSpider