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CHEBI:175020 - Angeolide

ChEBI IDCHEBI:175020
ChEBI NameAngeolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O4
Net Charge0
Average Mass380.484
Monoisotopic Mass380.19876
SMILES[H][C@]12C=C3C(=O)O/C(=C/CCC)[C@@]3(CC1)[C@]1(OC(=O)C3=C1CCC=C3)[C@H]2CCC
InChIInChI=1S/C24H28O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3/b20-11+/t15-,17+,23+,24+/m1/s1
InChIKeyDZMFTLLDUYBHLI-FSEWZPIJSA-N
ChEBI Ontology
Outgoing Relation(s)
Angeolide (CHEBI:175020) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(1S,2E,7R,8S,9S)-2-butylidene-8-propylspiro[3-oxatricyclo[5.2.2.01,5]undec-5-ene-9,3'-4,5-dihydro-2-benzouran]-1',4-dione
Manual XrefsDatabases
32775825ChemSpider