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CHEBI:189209 - Pestalpolyol E

ChEBI IDCHEBI:189209
ChEBI NamePestalpolyol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H38O4
Net Charge0
Average Mass366.542
Monoisotopic Mass366.27701
SMILESC/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)C(=O)CC
InChIInChI=1S/C22H38O4/c1-9-13(3)20(24)14(4)11-15(5)21(25)16(6)12-17(7)22(26)18(8)19(23)10-2/h9,11-12,14,16,18,20-22,24-26H,10H2,1-8H3/b13-9+,15-11+,17-12+/t14-,16-,18-,20+,21+,22+/m0/s1
InChIKeyDNIXQXLXMAQDFP-KDFYTODRSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Pestalpolyol E (CHEBI:189209) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4R,5S,6E,8S,9S,10E,12S,13S,14E)-5,9,13-trihydroxy-4,6,8,10,12,14-hexamethylhexadeca-6,10,14-trien-3-one
Manual XrefsDatabases
78441558ChemSpider