CHEBI:80829 - Genipin 1-beta-gentiobioside

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ChEBI Name Genipin 1-beta-gentiobioside
ChEBI ID CHEBI:80829
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H34O15
Net Charge 0
Average Mass 550.50710
Monoisotopic Mass 550.18977
InChI InChI=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
InChIKey FYZYXYLPBWLLGI-AUOPOVQUSA-N
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC=C2CO
ChEBI Ontology
Outgoing Genipin 1-beta-gentiobioside (CHEBI:80829) is a terpene glycoside (CHEBI:61777)
Manual Xref Database
C16965 KEGG COMPOUND
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Registry Number Type Source
29307-60-6 CAS Registry Number KEGG COMPOUND