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CHEBI:168779 - Isosyringinoside

ChEBI IDCHEBI:168779
ChEBI NameIsosyringinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O14
Net Charge0
Average Mass534.511
Monoisotopic Mass534.19486
SMILESCOc1cc(/C=C/CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H34O14/c1-32-11-6-10(4-3-5-34-22-19(30)17(28)15(26)13(8-24)35-22)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(9-25)36-23/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14+,15-,16+,17+,18-,19-,20+,22-,23-/m0/s1
InChIKeyRYVGCUJETSKZDU-NXJCARKOSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Isosyringinoside (CHEBI:168779) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4R,5R,6S)-2-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
28484014ChemSpider