input word = C00052096

Metabolite InformationStructural formula
Name 1,3-Butanediol
Formula C4H10O2
Mw 90.06807956
CAS RN 107-88-0
C_ID C00052096
InChIKey PUPZLCDOIYMWBV-UHFFFAOYSA-N
InChICode InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
SMILES CC(O)CCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
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