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CHEBI:223589 - Cattienoid E

ChEBI IDCHEBI:223589
ChEBI NameCattienoid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O5
Net Charge0
Average Mass400.515
Monoisotopic Mass400.22497
SMILESCC(=O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@@H]4CC3)[C@@H](O)C[C@]12C
InChIInChI=1S/C24H32O5/c1-13(25)18-11-20(27)24(5)17-8-7-16-14(6-9-21(28)29-22(16,2)3)10-15(17)19(26)12-23(18,24)4/h6,9-10,16,18-20,26-27H,7-8,11-12H2,1-5H3/t16-,18-,19+,20-,23-,24-/m1/s1
InChIKeyNFHVZMHKMQPQID-CXRHMISWSA-N
Species of MetaboliteComponentSourceComments
Tomophagusspecies (ncbitaxon:2782489) - PubMed (30983350)
ChEBI Ontology
Outgoing Relation(s)
Cattienoid E (CHEBI:223589) is a enoate ester (CHEBI:51702)
IUPAC Name 
(9R,13R,14R,16S,17R,19S)-16-acetyl-14,19-dihydroxy-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-6-one