input word = C00036920

Metabolite InformationStructural formula
Name Cnidioside B
Formula C18H22O10
Mw 398.12129692
CAS RN 141896-54-0
C_ID C00036920 ,
InChIKey YVYNMIFMUKDFEC-LVQWSHLPNA-N
InChICode InChI=1S/C18H22O10/c1-25-17-15-9(4-5-26-15)6-8(2-3-11(20)21)16(17)28-18-14(24)13(23)12(22)10(7-19)27-18/h4-6,10,12-14,18-19,22-24H,2-3,7H2,1H3,(H,20,21)/t10-,12+,13+,14-,18+/m1/s1
SMILES COc1c(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CCC(=O)O)cc2ccoc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeLeptothyrsa sprucei Ref.
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