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CHEBI:3337 - Calystegin B2

ChEBI IDCHEBI:3337
ChEBI NameCalystegin B2
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC7H13NO4
Net Charge0
Average Mass175.184
Monoisotopic Mass175.08446
SMILESO[C@H]1[C@@H](O)C2(O)CCC(N2)[C@@H]1O
InChIInChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3?,4-,5+,6+,7?/m0/s1
InChIKeyFXFBVZOJVHCEDO-NMACYSKISA-N
ChEBI Ontology
Outgoing Relation(s)
Calystegin B2 (CHEBI:3337) is a piperidines (CHEBI:26151)
Synonyms  Source
Calystegin B2KEGG COMPOUND
Calystegine B2KEGG COMPOUND
Manual XrefsDatabases
C10851KEGG COMPOUND
C00002283KNApSAcK
Registry NumbersSources
CAS:127414-85-1KEGG COMPOUND