CHEBI:174847 - Annosquamosin A

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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 Annosquamosin A
ChEBI ID CHEBI:174847
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H34O4
Net Charge 0
Average Mass 362.510
Monoisotopic Mass 362.24571
InChI InChI=1S/C22H34O4/c1-15(24)26-14-22(25)12-21-10-7-17-19(2,13-23)8-4-9-20(17,3)18(21)6-5-16(22)11-21/h13,16-18,25H,4-12,14H2,1-3H3/t16-,17?,18?,19-,20+,21?,22+/m0/s1
InChIKey FCHGRGOUMXZTFS-QZRFJHGNSA-N
SMILES O[C@@]1([C@@]2(CC3(C([C@]4(C(CC3)[C@](CCC4)(C)C=O)C)CC2)C1)[H])COC(=O)C
ChEBI Ontology
Outgoing Annosquamosin A (CHEBI:174847) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name
[(5R,9S,13S,14S)-5-ormyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
Manual Xrefs Databases
412204 ChemSpider
HMDB0031137 HMDB
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