CHEBI:31802 - Mazaticol hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mazaticol hydrochloride
ChEBI ID CHEBI:31802
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H27NO3S2.HCl
Net Charge 0
Average Mass 442.038
Monoisotopic Mass 441.11991
InChI InChI=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
InChIKey KOYYWMFYAIFCBI-UHFFFAOYSA-N
SMILES Cl.CN1C2CCC(C)(C)C1CC(C2)OC(=O)C(O)(c1cccs1)c1cccs1
ChEBI Ontology
Outgoing Mazaticol hydrochloride (CHEBI:31802) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
KAO 264 KEGG COMPOUND
Mazaticol hydrochloride KEGG COMPOUND
Manual Xref Database
C12948 KEGG COMPOUND
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Registry Number Type Source
32891-29-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014