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CHEBI:169661 - Salviaflaside

ChEBI IDCHEBI:169661
ChEBI NameSalviaflaside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O13
Net Charge0
Average Mass522.459
Monoisotopic Mass522.13734
SMILESO=C(/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C24H26O13/c25-10-18-20(30)21(31)22(32)24(37-18)36-16-8-11(1-5-14(16)27)3-6-19(29)35-17(23(33)34)9-12-2-4-13(26)15(28)7-12/h1-8,17-18,20-22,24-28,30-32H,9-10H2,(H,33,34)/b6-3+/t17-,18-,20-,21+,22-,24-/m1/s1
InChIKeyDSMWJDJWYGMEBO-PRFRQLEPSA-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)
Salviaflaside (CHEBI:169661) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxypropanoic acid
Manual XrefsDatabases
4943359ChemSpider
Registry NumbersSources
CAS:178895-25-5ChemIDplus