CHEBI:5321 - Gentiopicrin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Gentiopicrin
ChEBI ID CHEBI:5321
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H20O9
Net Charge 0
Average Mass 356.325
Monoisotopic Mass 356.11073
InChI InChI=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
InChIKey DUAGQYUORDTXOR-GPQRQXLASA-N
SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC=C3[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing Gentiopicrin (CHEBI:5321) is a glycoside (CHEBI:24400)
Synonyms Sources
Gentiopicrin KEGG COMPOUND
Gentiopicroside KEGG COMPOUND
Manual Xrefs Databases
C00003082 KNApSAcK
C09782 KEGG COMPOUND
View more database links
Registry Number Type Source
20831-76-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014