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 [C@H]12C(=C(CC[C@@H]3[C@@H]1OC(=O)[C@H]3C)C)C(=O)C=C2CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)O
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