input word = C00010100

Metabolite InformationStructural formula
Name Cladrastin 7-O-glucoside
Formula C24H26O11
Mw 490.14751167
CAS RN 59183-50-5
C_ID C00010100 ,
InChIKey PMHWEGVKSVMZAG-WXVMNYTINA-N
InChICode InChI=1S/C24H26O11/c1-30-14-5-4-11(6-16(14)31-2)13-10-33-15-8-18(17(32-3)7-12(15)20(13)26)34-24-23(29)22(28)21(27)19(9-25)35-24/h4-8,10,19,21-25,27-29H,9H2,1-3H3/t19-,21+,22-,23+,24+/m0/s1
SMILES O(c1cc2c(c(=O)c(co2)c2ccc(c(c2)OC)OC)cc1OC)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCladrastis spp. Ref.
zoom in