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 COc1c(O)c(C2CCCN2C)c2oc(-c3ccc(O)cc3)cc(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeZosteraceaePhyllospadix iwatensis Ref.
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