input word = C00008194

Metabolite InformationStructural formula
Name Neoliquiritin
Formula C21H22O9
Mw 418.1263823
CAS RN 5088-75-5
C_ID C00008194 ,
InChIKey HJBUYKZTEBZNSH-YWZRKEQENA-N
InChICode InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-5-6-13-14(24)8-15(29-16(13)7-12)10-1-3-11(23)4-2-10/h1-7,15,17-23,25-27H,8-9H2/t15-,17-,18-,19+,20-,21-/m1/s1
SMILES c1(ccc2c(c1)O[C@H](CC2=O)c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDahlia spp. Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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