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CHEBI:5321 - Gentiopicrin

ChEBI IDCHEBI:5321
ChEBI NameGentiopicrin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H20O9
Net Charge0
Average Mass356.327
Monoisotopic Mass356.11073
SMILESC=C[C@@H]1C2=CCOC(=O)C2=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1
InChIKeyDUAGQYUORDTXOR-GPQRQXLASA-N
ChEBI Ontology
Outgoing Relation(s)
Gentiopicrin (CHEBI:5321) is a glycoside (CHEBI:24400)
Synonyms  Source
GentiopicrinKEGG COMPOUND
GentiopicrosideKEGG COMPOUND
Manual XrefsDatabases
C09782KEGG COMPOUND
C00003082KNApSAcK
Registry NumbersSources
CAS:20831-76-9KEGG COMPOUND