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CHEBI:181163 - 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-2-yl]methoxy]propanoic acid

ChEBI IDCHEBI:181163
ChEBI Name3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-2-yl]methoxy]propanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O10
Net Charge0
Average Mass414.407
Monoisotopic Mass414.15260
SMILESCc1cc(O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(C(C)C)cc1O
InChIInChI=1S/C19H26O10/c1-8(2)10-5-11(20)9(3)4-12(10)28-19-18(26)17(25)16(24)13(29-19)7-27-15(23)6-14(21)22/h4-5,8,13,16-20,24-26H,6-7H2,1-3H3,(H,21,22)/t13-,16-,17+,18-,19-/m1/s1
InChIKeyVJVGTGQETNCOEX-LQDZTQBFSA-N
ChEBI Ontology
Outgoing Relation(s)
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-2-yl]methoxy]propanoic acid (CHEBI:181163) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-2-yl]methoxy]propanoic acid
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