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CHEBI:191694 - 10-Acetoxyligustroside

ChEBI IDCHEBI:191694
ChEBI Name10-Acetoxyligustroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O14
Net Charge0
Average Mass582.555
Monoisotopic Mass582.19486
SMILESCOC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/COC(C)=O)[C@@H]1CC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C27H34O14/c1-14(29)37-10-8-17-18(11-21(31)38-9-7-15-3-5-16(30)6-4-15)19(25(35)36-2)13-39-26(17)41-27-24(34)23(33)22(32)20(12-28)40-27/h3-6,8,13,18,20,22-24,26-28,30,32-34H,7,9-12H2,1-2H3/b17-8+/t18-,20+,22+,23-,24+,26-,27-/m0/s1
InChIKeyDKRXODJAISNRGA-MHYZOFOLSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
10-Acetoxyligustroside (CHEBI:191694) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
methyl (4S,5E,6S)-5-(2-acetyloxyethylidene)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Manual XrefsDatabases
103884504ChemSpider