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CHEBI:716 - 11-Hydroxyiridodial glucoside pentaacetate

ChEBI IDCHEBI:716
ChEBI Name11-Hydroxyiridodial glucoside pentaacetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H36O13
Net Charge0
Average Mass556.561
Monoisotopic Mass556.21559
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(COC(C)=O)[C@@]1([H])CC[C@@H]2C
InChIInChI=1S/C26H36O13/c1-12-7-8-19-18(9-32-13(2)27)10-34-25(21(12)19)39-26-24(37-17(6)31)23(36-16(5)30)22(35-15(4)29)20(38-26)11-33-14(3)28/h10,12,19-26H,7-9,11H2,1-6H3/t12-,19+,20+,21+,22+,23-,24+,25-,26-/m0/s1
InChIKeyLMOCIFYNGJTLCQ-NALAVQKMSA-N
ChEBI Ontology
Outgoing Relation(s)
11-Hydroxyiridodial glucoside pentaacetate (CHEBI:716) is a terpene glycoside (CHEBI:61777)
Synonym  Source
11-Hydroxyiridodial glucoside pentaacetateKEGG COMPOUND
Manual XrefsDatabases
C11666KEGG COMPOUND