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CHEBI:201333 - Cattienoid A

ChEBI IDCHEBI:201333
ChEBI NameCattienoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O4
Net Charge0
Average Mass384.516
Monoisotopic Mass384.23006
SMILESCC(=O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@@H]4CC3)CC[C@]12C
InChIInChI=1S/C24H32O4/c1-14(25)19-13-20(26)24(5)18-8-7-17-15(6-9-21(27)28-22(17,2)3)12-16(18)10-11-23(19,24)4/h6,9,12,17,19-20,26H,7-8,10-11,13H2,1-5H3/t17-,19-,20-,23-,24-/m1/s1
InChIKeyCFKGOPCMHMUILV-GVMKPQOSSA-N
Species of MetaboliteComponentSourceComments
Tomophagus cattienensis (ncbitaxon:1069710) - PubMed (24001711)
ChEBI Ontology
Outgoing Relation(s)
Cattienoid A (CHEBI:201333) is a enoate ester (CHEBI:51702)
IUPAC Name 
(9R,13R,14R,16S,17R)-16-acetyl-14-hydroxy-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-6-one
Manual XrefsDatabases
58826923ChemSpider