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CHEBI:3336 - Calystegin A3

ChEBI IDCHEBI:3336
ChEBI NameCalystegin A3
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC7H13NO3
Net Charge0
Average Mass159.185
Monoisotopic Mass159.08954
SMILESO[C@@H]1CC2CCC(O)(N2)[C@@H]1O
InChIInChI=1S/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2/t4?,5-,6-,7?/m1/s1
InChIKeyXOCBOVUINUHZJA-RKXXOXFUSA-N
ChEBI Ontology
Outgoing Relation(s)
Calystegin A3 (CHEBI:3336) is a piperidines (CHEBI:26151)
Synonyms  Source
Calystegin A3KEGG COMPOUND
Calystegine A3KEGG COMPOUND
Manual XrefsDatabases
C10850KEGG COMPOUND
C00002282KNApSAcK
Registry NumbersSources
CAS:131580-36-4KEGG COMPOUND