input word = C00029960

Metabolite InformationStructural formula
Name Cichorioside N
(+)-Cichorioside N
Formula C21H32O9
Mw 428.20463262
CAS RN 1086489-96-4
C_ID C00029960 ,
InChIKey PNUZTGLWURTQTO-IDBLQVMUNA-N
InChICode InChI=1S/C21H32O9/c1-5-21(4)6-11(23)13-10(3)19(27)30-18(13)14(21)9(2)8-28-20-17(26)16(25)15(24)12(7-22)29-20/h5,8,10-18,20,22-26H,1,6-7H2,2-4H3/b9-8+/t10-,11-,12+,13+,14+,15+,16-,17+,18+,20+,21+/m0/s1
SMILES [C@]1(C[C@@H]([C@@H]2[C@H]([C@H]1/C(=C/O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)/C)OC(=O)[C@H]2C)O)(C)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium endivia Ref.
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OrganismCichorium endivia
ReferenceWarashina,Chem.Pharm.Bull.,56,(2008),1445