input word = C00029951

Metabolite InformationStructural formula
Name Cichorioside D
(-)-Cichorioside D
Formula C27H38O13
Mw 570.2312413
CAS RN 1086489-66-8
C_ID C00029951 ,
InChIKey AIDJHLWRZXMPHP-OLGSXGAXNA-N
InChICode InChI=1S/C27H38O13/c1-9-4-5-13-10(2)25(35)40-24(13)17-12(6-14(28)16(9)17)7-36-27-23(34)21(32)19(30)15(39-27)8-37-26-22(33)20(31)18(29)11(3)38-26/h6,10-11,13,15,17-24,26-27,29-34H,4-5,7-8H2,1-3H3/t10-,11-,13-,15+,17-,18-,19+,20+,21-,22+,23+,24-,26+,27+/m0/s1
SMILES CC1=C2C(=O)C=C(COC3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium endivia Ref.
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