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CHEBI:168636 - ent-Corey PG-Lactone Diol

ChEBI IDCHEBI:168636
ChEBI Nameent-Corey PG-Lactone Diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILES[H][C@@]12CC(=O)O[C@]1([H])[C@H](O)C[C@H]2/C=C/[C@H](O)CCCCC
InChIInChI=1S/C15H24O4/c1-2-3-4-5-11(16)7-6-10-8-13(17)15-12(10)9-14(18)19-15/h6-7,10-13,15-17H,2-5,8-9H2,1H3/b7-6+/t10-,11-,12+,13-,15+/m1/s1
InChIKeyHWJOPRRQCMFHNY-KVPZUBJNSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
ent-Corey PG-Lactone Diol (CHEBI:168636) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(3aS,4S,6R,6aS)-6-hydroxy-4-[(E,3R)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]uran-2-one
Manual XrefsDatabases
29341537ChemSpider