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CHEBI:80829 - Genipin 1-beta-gentiobioside

ChEBI IDCHEBI:80829
ChEBI NameGenipin 1-beta-gentiobioside
Stars
DownloadsMolfile
FormulaC23H34O15
Net Charge0
Average Mass550.510
Monoisotopic Mass550.18977
SMILES[H][C@@]12C(CO)=CC[C@]1([H])C(C(=O)OC)=CO[C@H]2O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H34O15/c1-33-20(32)10-6-34-21(13-8(4-24)2-3-9(10)13)38-23-19(31)17(29)15(27)12(37-23)7-35-22-18(30)16(28)14(26)11(5-25)36-22/h2,6,9,11-19,21-31H,3-5,7H2,1H3/t9-,11-,12-,13-,14-,15-,16+,17+,18-,19-,21+,22-,23+/m1/s1
InChIKeyFYZYXYLPBWLLGI-AUOPOVQUSA-N
ChEBI Ontology
Outgoing Relation(s)
Genipin 1-beta-gentiobioside (CHEBI:80829) is a terpene glycoside (CHEBI:61777)
Manual XrefsDatabases
C16965KEGG COMPOUND
Registry NumbersSources
CAS:29307-60-6KEGG COMPOUND