CHEBI:172611 - Annoglabasin F

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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 Annoglabasin F
ChEBI ID CHEBI:172611
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H34O5
Net Charge 0
Average Mass 378.509
Monoisotopic Mass 378.24062
InChI InChI=1S/C22H34O5/c1-14(23)27-22(18(24)26-4)13-21-11-8-16-19(2,9-5-10-20(16,3)25)17(21)7-6-15(22)12-21/h15-17,25H,5-13H2,1-4H3/t15-,16+,17+,19-,20-,21+,22-/m1/s1
InChIKey XLXLWRGGUYSHOH-WBUFBUKVSA-N
SMILES O([C@]1([C@]2(C[C@]3([C@]([C@]4([C@](CC3)([C@](O)(CCC4)C)[H])C)(CC2)[H])C1)[H])C(OC)=O)C(=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Annoglabasin F (CHEBI:172611) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name
methyl (1S,4S,5R,9S,10R,13R,14R)-14-acetyloxy-5-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate
Manual Xref Database
8961235 ChemSpider
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