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CHEBI:222303 - 2-allyl-3,5-dichloro-1,4-dihydroxycyclopent-2-enoic acid methyl ester

ChEBI IDCHEBI:222303
ChEBI Name2-allyl-3,5-dichloro-1,4-dihydroxycyclopent-2-enoic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12Cl2O4
Net Charge0
Average Mass267.108
Monoisotopic Mass266.01126
SMILESC/C=C/C1=C(Cl)[C@@H](O)[C@@H](Cl)[C@@]1(O)C(=O)OC
InChIInChI=1S/C10H12Cl2O4/c1-3-4-5-6(11)7(13)8(12)10(5,15)9(14)16-2/h3-4,7-8,13,15H,1-2H3/b4-3+/t7-,8-,10-/m1/s1
InChIKeyNOCLOSXSSSZXNK-NTKCCAIZSA-N
Species of MetaboliteComponentSourceComments
Periconia macrospinosa (ncbitaxon:97972) - PubMed (5388503)
ChEBI Ontology
Outgoing Relation(s)
2-allyl-3,5-dichloro-1,4-dihydroxycyclopent-2-enoic acid methyl ester (CHEBI:222303) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
methyl (1S,4S,5R)-3,5-dichloro-1,4-dihydroxy-2-[(E)-prop-1-enyl]cyclopent-2-ene-1-carboxylate
Manual XrefsDatabases
114928788ChemSpider