input word = C00030831

Metabolite InformationStructural formula
Name Nonyl sulfate
Formula C9H20O4S
Mw 224.10822986
CAS RN 1072-15-7
C_ID C00030831 ,
InChIKey KETHQOOVMIVLCH-UHFFFAOYSA-N
InChICode InChI=1S/C9H20O4S/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h2-9H2,1H3,(H,10,11,12)
SMILES C(CCCCCCCC)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDaphniidaeDaphnia pulex Ref.
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OrganismDaphnia pulex
ReferenceYasumoto,Chem.Pharm.Bull.,56,(2008),133