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CHEBI:31802 - Mazaticol hydrochloride

Default Structure
ChEBI IDCHEBI:31802
ChEBI NameMazaticol hydrochloride
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H27NO3S2.HCl
Net Charge0
Average Mass442.046
Monoisotopic Mass441.11991
SMILESCN1C2CCC(C)(C)C1CC(OC(=O)C(O)(c1cccs1)c1cccs1)C2.Cl
InChIInChI=1S/C21H27NO3S2.ClH/c1-20(2)9-8-14-12-15(13-16(20)22(14)3)25-19(23)21(24,17-6-4-10-26-17)18-7-5-11-27-18;/h4-7,10-11,14-16,24H,8-9,12-13H2,1-3H3;1H
InChIKeyKOYYWMFYAIFCBI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Mazaticol hydrochloride (CHEBI:31802) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
KAO 264KEGG COMPOUND
Mazaticol hydrochlorideKEGG COMPOUND
Manual XrefsDatabases
C12948KEGG COMPOUND
Registry NumbersSources
CAS:32891-29-5KEGG COMPOUND