input word = C00063489

Metabolite InformationStructural formula
Name Gemcitabine
Formula C9H11F2N3O4
Mw 263.07176226
CAS RN 95058-81-4
C_ID C00063489
InChIKey SDUQYLNIPVEERB-QPPQHZFASA-N
InChICode InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1
SMILES Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
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