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CHEBI:6514 - Loganin pentaacetate

ChEBI IDCHEBI:6514
ChEBI NameLoganin pentaacetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H36O15
Net Charge0
Average Mass600.570
Monoisotopic Mass600.20542
SMILES[H][C@]12[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)OC=C(C(=O)OC)[C@@]1([H])C[C@H](OC(C)=O)[C@@H]2C
InChIInChI=1S/C27H36O15/c1-11-19(37-13(3)29)8-17-18(25(33)34-7)9-36-26(21(11)17)42-27-24(40-16(6)32)23(39-15(5)31)22(38-14(4)30)20(41-27)10-35-12(2)28/h9,11,17,19-24,26-27H,8,10H2,1-7H3/t11-,17+,19-,20+,21+,22+,23-,24+,26-,27-/m0/s1
InChIKeyAEJMLRVPTZEQEF-HISSRJBZSA-N
ChEBI Ontology
Outgoing Relation(s)
Loganin pentaacetate (CHEBI:6514) is a terpene glycoside (CHEBI:61777)
Synonym  Source
Loganin pentaacetateKEGG COMPOUND
Manual XrefsDatabases
C11663KEGG COMPOUND