input word = C00002354

Metabolite InformationStructural formula
Name Phyllospadine
Formula C21H21NO6
Mw 383.13688741
CAS RN 76540-48-2
C_ID C00002354 ,
InChIKey MHPSUMPGWBYSSV-UHFFFAOYNA-N
InChICode InChI=1S/C21H21NO6/c1-22-9-3-4-13(22)16-18(25)21(27-2)19(26)17-14(24)10-15(28-20(16)17)11-5-7-12(23)8-6-11/h5-8,10,13,23,25-26H,3-4,9H2,1-2H3/t13-/m0/s1
SMILES c1(c(c(c2c(c1[C@@H]1CCCN1C)oc(cc2=O)c1ccc(cc1)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeZosteraceaePhyllospadix iwatensis Ref.
zoom in