CHEBI:5300 - Geniposide pentaacetate

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ChEBI Name Geniposide pentaacetate
ChEBI ID CHEBI:5300
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H34O15
Net Charge 0
Average Mass 598.551
Monoisotopic Mass 598.190
InChI InChI=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
InChIKey LKXMXUPYWQQHNY-JPGAYEHLSA-N
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]2[C@@H]1CC=C2COC(C)=O
ChEBI Ontology
Outgoing Geniposide pentaacetate (CHEBI:5300) is a terpene glycoside (CHEBI:61777)
Synonyms Sources
Geniposide pentaacetate KEGG COMPOUND
Pentaacetyl geniposide KEGG COMPOUND
Database Link Database
C11639 KEGG COMPOUND
View more database links
Registry Number Type Source
49776-64-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014