CHEBI:223585 - Cattienoid D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cattienoid D
ChEBI ID CHEBI:223585
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O4
Net Charge 0
Average Mass 358.478
Monoisotopic Mass 358.21441
InChI InChI=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
InChIKey LTMONJJANNHFRQ-OWGSYBQFSA-N
SMILES O=C(O)CC[C@]12C=3C(=CC[C@H]1COC2)[C@]4([C@]([C@@H](C(=O)C)CC4)(C)CC3)C
Metabolite of Species Details
Tomophagusspecies (NCBI:txid2782489) See: PubMed
ChEBI Ontology
Outgoing 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