input word = C00033064

Metabolite InformationStructural formula
Name Isoliquiritin apioside
Formula C26H30O13
Mw 550.16864105
CAS RN 120926-46-7
C_ID C00033064 ,
InChIKey VMMVZVPAYFZNBM-QIMOLRPQNA-N
InChICode InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+/t19-,20+,21+,22-,23+,24-,25+,26-/m1/s1
SMILES [C@H]1([C@H]([C@H]([C@H](O[C@H]1Oc1ccc(cc1)/C=C/C(=O)c1c(cc(cc1)O)O)CO)O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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OrganismGlycyrrhiza glabra
ReferenceSong, W. et al., Anal. Chem., 89, (2017), 3146-3153.