input word = C00052323

Metabolite InformationStructural formula
Name 3-Indoxyl sulfate
Indoxyl sulfate
Formula C8H7NO4S
Mw 213.00957845
CAS RN 487-94-5
C_ID C00052323
InChIKey BXFFHSIDQOFMLE-UHFFFAOYSA-N
InChICode InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
SMILES OS(OC1=CNC2=C1C=CC=C2)(=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
PlantaeLabiataeOrthosiphon stamineus Ref.
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OrganismOrthosiphon stamineus
Referencehttps://doi.org/10.1016/j.jpba.2016.12.010