CHEBI:215666 - Cattienoid B

ChEBI IDCHEBI:215666
ChEBI NameCattienoid B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O3
Net Charge0
Average Mass340.463
Monoisotopic Mass340.20384
SMILESCC1(C)OC(=O)C=CC2=CC3=C(CC[C@H]21)[C@]1(C)CCC(=O)[C@@]1(C)CC3
InChIInChI=1S/C22H28O3/c1-20(2)16-6-7-17-15(13-14(16)5-8-19(24)25-20)9-11-22(4)18(23)10-12-21(17,22)3/h5,8,13,16H,6-7,9-12H2,1-4H3/t16-,21+,22-/m1/s1
InChIKeyFVZNRLLUBWYIGZ-URZJWIJPSA-N
Species of MetaboliteComponentSourceComments
Tomophagus cattienensis (ncbitaxon:1069710) - PubMed (24001711)
ChEBI Ontology
Outgoing Relation(s)
Cattienoid B (CHEBI:215666) is a enoate ester (CHEBI:51702)
IUPAC Name 
(9R,13S,17S)-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-triene-6,16-dione
Manual XrefsDatabases
78443446ChemSpider