input word = C00029949

Metabolite InformationStructural formula
Name Cichorioside B
(-)-Cichorioside B
Formula C21H28O10
Mw 440.16824712
CAS RN 117037-78-2
C_ID C00029949 ,
InChIKey ZEMSXERQBUSFBA-KWBPDTRHNA-N
InChICode InChI=1S/C21H28O10/c1-7-3-10(23)14-8(2)20(28)31-19(14)15-9(4-11(24)13(7)15)6-29-21-18(27)17(26)16(25)12(5-22)30-21/h4,8,10,12,14-19,21-23,25-27H,3,5-6H2,1-2H3/t8-,10-,12+,14+,15-,16+,17-,18+,19-,21+/m0/s1
SMILES CC1=C2C(=O)C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium endivia Ref.
PlantaeAsteraceaeCichorium intybus L. Ref.
PlantaeAsteraceaeHypochaeris radicata L. Ref.
PlantaeAsteraceaeLactuca indica L. Ref.
PlantaeAsteraceaeLactuca tatarica C.A.Mey. Ref.
PlantaeAsteraceaeLactuca virosa L. Ref.
PlantaeAsteraceaeNotoseris triflora (Hemsl.) C .Shih Ref.
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