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CHEBI:5300 - Geniposide pentaacetate

ChEBI IDCHEBI:5300
ChEBI NameGeniposide pentaacetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H34O15
Net Charge0
Average Mass598.554
Monoisotopic Mass598.18977
SMILES[H][C@@]12C(COC(C)=O)=CC[C@]1([H])C(C(=O)OC)=CO[C@H]2O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C27H34O15/c1-12(28)35-9-17-7-8-18-19(25(33)34-6)10-37-26(21(17)18)42-27-24(40-16(5)32)23(39-15(4)31)22(38-14(3)30)20(41-27)11-36-13(2)29/h7,10,18,20-24,26-27H,8-9,11H2,1-6H3/t18-,20-,21-,22-,23+,24-,26+,27+/m1/s1
InChIKeyLKXMXUPYWQQHNY-JPGAYEHLSA-N
ChEBI Ontology
Outgoing Relation(s)
Geniposide pentaacetate (CHEBI:5300) is a terpene glycoside (CHEBI:61777)
Synonyms  Source
Geniposide pentaacetateKEGG COMPOUND
Pentaacetyl geniposideKEGG COMPOUND
Manual XrefsDatabases
C11639KEGG COMPOUND
Registry NumbersSources
CAS:49776-64-9KEGG COMPOUND