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CHEBI:168543 - Rivenprost

ChEBI IDCHEBI:168543
ChEBI NameRivenprost
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O6S
Net Charge0
Average Mass450.597
Monoisotopic Mass450.20761
SMILESCOCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)OC)c1
InChIInChI=1S/C24H34O6S/c1-29-16-18-6-3-5-17(13-18)14-19(25)8-9-20-21(23(27)15-22(20)26)10-12-31-11-4-7-24(28)30-2/h3,5-6,8-9,13,19-22,25-26H,4,7,10-12,14-16H2,1-2H3/b9-8+/t19-,20-,21-,22-/m1/s1
InChIKeyFBQUXLIJKPWCAO-AZIFJQEOSA-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)
Rivenprost (CHEBI:168543) is a benzyl ether (CHEBI:59859)
IUPAC Name 
methyl 4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylsulanyl]butanoate
Manual XrefsDatabases
DB16315DrugBank
7979588ChemSpider
Registry NumbersSources
CAS:256382-08-8ChemIDplus