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CHEBI:223600 - Cattienoid G

ChEBI IDCHEBI:223600
ChEBI NameCattienoid G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O4
Net Charge0
Average Mass356.462
Monoisotopic Mass356.19876
SMILESCC1(C)OC(=O)C=CC2=CC3=C(CC[C@H]21)[C@]1(C)[C@H](O)CC(=O)[C@@]1(C)CC3
InChIInChI=1S/C22H28O4/c1-20(2)15-6-7-16-14(11-13(15)5-8-19(25)26-20)9-10-21(3)17(23)12-18(24)22(16,21)4/h5,8,11,15,18,24H,6-7,9-10,12H2,1-4H3/t15-,18-,21-,22-/m1/s1
InChIKeyVAVPMWAWMDNSAO-CSOSIKBCSA-N
Species of MetaboliteComponentSourceComments
Tomophagusspecies (ncbitaxon:2782489) - PubMed (30983350)
ChEBI Ontology
Outgoing Relation(s)
Cattienoid G (CHEBI:223600) is a enoate ester (CHEBI:51702)
IUPAC Name 
(9R,13S,14R,17S)-14-hydroxy-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-triene-6,16-dione