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CHEBI:223585 - Cattienoid D

ChEBI IDCHEBI:223585
ChEBI NameCattienoid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCC(=O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4COC[C@@]4(CCC(=O)O)C3=CC[C@]12C
InChIInChI=1S/C22H30O4/c1-14(23)16-6-9-21(3)17-5-4-15-12-26-13-22(15,11-8-19(24)25)18(17)7-10-20(16,21)2/h5,7,15-16H,4,6,8-13H2,1-3H3,(H,24,25)/t15-,16+,20+,21-,22+/m0/s1
InChIKeyLTMONJJANNHFRQ-OWGSYBQFSA-N
Species of MetaboliteComponentSourceComments
Tomophagusspecies (ncbitaxon:2782489) - PubMed (30983350)
ChEBI Ontology
Outgoing Relation(s)
Cattienoid D (CHEBI:223585) is a oxolanes (CHEBI:26912)
IUPAC Name 
3-[(3aR,5aR,6S,8aR,10aR)-6-acetyl-5a,8a-dimethyl-1,3,5,6,7,8,10,10a-octahydroindeno[5,4-e][2]benzouran-3a-yl]propanoic acid