CHEBI:3337 - Calystegin B2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Calystegin B2
ChEBI ID CHEBI:3337
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C7H13NO4
Net Charge 0
Average Mass 175.183
Monoisotopic Mass 175.08446
InChI InChI=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
InChIKey FXFBVZOJVHCEDO-NMACYSKISA-N
SMILES O[C@H]1C2CCC(O)(N2)[C@H](O)[C@@H]1O
ChEBI Ontology
Outgoing Calystegin B2 (CHEBI:3337) is a piperidines (CHEBI:26151)
Synonyms Sources
Calystegin B2 KEGG COMPOUND
Calystegine B2 KEGG COMPOUND
Manual Xrefs Databases
C00002283 KNApSAcK
C10851 KEGG COMPOUND
View more database links
Registry Number Type Source
127414-85-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014