input word = C00000116

Metabolite InformationStructural formula
Name Indole-3-butyric acid
1H-Indole-3-butanoic acid
IBA
Formula C12H13NO2
Mw 203.09462867
CAS RN 133-32-4
C_ID C00000116 ,
InChIKey JTEDVYBZBROSJT-UHFFFAOYSA-N
InChICode InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
SMILES c1ccc2c(c1)c(c[nH]2)CCCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeNymphaeaceaeNymphaea alba Ref.
PlantaePalmaeCocos nucifera Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
zoom in