input word = C00013133

Metabolite InformationStructural formula
Name Cathidine D
Formula C32H37NO11
Mw 611.23666103
CAS RN 58546-13-7
C_ID C00013133 ,
InChIKey IBYLVJWSADDHAM-PNPVJZBZNA-N
InChICode InChI=1S/C32H37NO11/c1-18(34)40-17-31-23(42-28(38)21-12-9-13-33-16-21)14-22-15-32(31,44-29(22,3)4)30(5,39)25(36)24(26(31)41-19(2)35)43-27(37)20-10-7-6-8-11-20/h6-13,16,22-26,36,39H,14-15,17H2,1-5H3/t22-,23+,24+,25+,26+,30+,31-,32+/m1/s1
SMILES O1[C@]23[C@]([C@H](C[C@@H](C1(C)C)C3)OC(=O)c1cnccc1)([C@H]([C@H]([C@@H]([C@]2(C)O)O)OC(=O)c1ccccc1)OC(=O)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCatha edulis Ref.
zoom in