input word = C00038712

Metabolite InformationStructural formula
Name Cassythidine
Formula C19H17NO5
Mw 339.11067266
CAS RN 6081-07-8
C_ID C00038712 ,
InChIKey BLQMKAOCFLGRCD-STGVRZAANA-N
InChICode InChI=1S/C19H17NO5/c1-21-17-10-2-3-20-12-4-9-5-13-14(23-7-22-13)6-11(9)16(15(10)12)18-19(17)25-8-24-18/h5-6,12,20H,2-4,7-8H2,1H3/t12-/m0/s1
SMILES COc1c2c3c(c4c1OCO4)-c1cc4c(cc1C[C@@H]3NCC2)OCO4
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeLauraceaeCassytha filiformis Ref.
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