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CHEBI:183320 - capsidiol 3-acetate

ChEBI IDCHEBI:183320
ChEBI Namecapsidiol 3-acetate
Stars
DefinitionAn acetate ester resulting from the formal condensation of the hydroxy group at position 3 of capsidiol with acetic acid. It is a phytoalexin produced by Nicotiana benthamiana against potato virus X.
Last Modified5 November 2021
SubmitterAdnan
DownloadsMolfile
FormulaC17H26O3
Net Charge0
Average Mass278.392
Monoisotopic Mass278.18819
SMILESC=C(C)[C@@H]1CC=C2[C@H](O)C[C@@H](OC(C)=O)[C@@H](C)[C@@]2(C)C1
InChIInChI=1S/C17H26O3/c1-10(2)13-6-7-14-15(19)8-16(20-12(4)18)11(3)17(14,5)9-13/h7,11,13,15-16,19H,1,6,8-9H2,2-5H3/t11-,13-,15-,16-,17-/m1/s1
InChIKeySLKXYDPIYYJVRG-MNGYRCLDSA-N
Species of MetaboliteComponentSourceComments
Hydrocotyle ramiflora (ncbitaxon:1138480) - PubMed (17253267)
Nicotiana benthamiana (ncbitaxon:4100) - PubMed (25993114)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
ChEBI Ontology
Outgoing Relation(s)
capsidiol 3-acetate (CHEBI:183320) has functional parent capsidiol (CHEBI:28283)
capsidiol 3-acetate (CHEBI:183320) has role plant metabolite (CHEBI:76924)
capsidiol 3-acetate (CHEBI:183320) is a acetate ester (CHEBI:47622)
capsidiol 3-acetate (CHEBI:183320) is a eremophilane sesquiterpenoid (CHEBI:36753)
capsidiol 3-acetate (CHEBI:183320) is a octahydronaphthalenes (CHEBI:138397)
capsidiol 3-acetate (CHEBI:183320) is a sesquiterpene phytoalexin (CHEBI:142279)
IUPAC Name 
(1S,2R,4R,7R,8aR)-4-hydroxy-1,8a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl acetate
Manual XrefsDatabases
CPD-20621MetaCyc
Citations