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CHEBI:204121 - Deoxyparguerol

ChEBI IDCHEBI:204121
ChEBI NameDeoxyparguerol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33BrO5
Net Charge0
Average Mass457.405
Monoisotopic Mass456.15114
SMILESCC(=O)O[C@H]1C[C@]2(C)C3=CC[C@@](C)(C(Br)CO)C[C@@H]3[C@@H](O)C[C@H]2[C@]2(O)CC[C@H]12
InChIInChI=1S/C22H33BrO5/c1-12(25)28-17-10-21(3)14-4-6-20(2,19(23)11-24)9-13(14)16(26)8-18(21)22(27)7-5-15(17)22/h4,13,15-19,24,26-27H,5-11H2,1-3H3/t13-,15+,16-,17-,18+,19?,20+,21+,22-/m0/s1
InChIKeyGQGQFMYAQIAQJH-ACJJBJFWSA-N
ChEBI Ontology
Outgoing Relation(s)
Deoxyparguerol (CHEBI:204121) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
[(1S,5R,7S,8S,10R,11R,14R,15S)-5-(1-bromo-2-hydroxyethyl)-8,11-dihydroxy-1,5-dimethyl-15-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl] acetate
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