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CHEBI:190787 - Licorice glycoside B

ChEBI IDCHEBI:190787
ChEBI NameLicorice glycoside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H36O15
Net Charge0
Average Mass696.658
Monoisotopic Mass696.20542
SMILESO=C(/C=C/c1ccc(O)cc1)OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(/C=C/C(=O)c4ccc(O)cc4O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C35H36O15/c36-16-27-29(42)30(43)31(50-34-32(44)35(45,18-47-34)17-46-28(41)14-6-19-1-7-21(37)8-2-19)33(49-27)48-23-10-3-20(4-11-23)5-13-25(39)24-12-9-22(38)15-26(24)40/h1-15,27,29-34,36-38,40,42-45H,16-18H2/b13-5+,14-6+/t27-,29-,30+,31-,32+,33-,34+,35-/m1/s1
InChIKeyDBMYJNREMDOYPY-XMCJHVAISA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Licorice glycoside B (CHEBI:190787) is a flavonoids (CHEBI:72544)
Licorice glycoside B (CHEBI:190787) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate