input word = C00029958

Metabolite InformationStructural formula
Name Cichorioside L
Formula C26H40O13
Mw 560.24689137
CAS RN 1086489-90-8
C_ID C00029958 ,
InChIKey NFLQLYZLVYTURD-XNFWKHLLNA-N
InChICode InChI=1S/C26H40O13/c1-11-4-5-14(28)12(2)7-16-18(13(3)23(33)37-16)15(6-11)38-24-21(31)20(30)19(29)17(39-24)8-35-25-22(32)26(34,9-27)10-36-25/h4,7,13-22,24-25,27-32,34H,5-6,8-10H2,1-3H3/b11-4-,12-7+/t13-,14-,15-,16-,17+,18+,19+,20-,21+,22-,24+,25+,26+/m0/s1
SMILES C/C1=C/C[C@H](O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium endivia Ref.
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