input word = C00057299

Metabolite InformationStructural formula
Name Neocoumarin
Formula C11H10O7S
Mw 286.01472341
CAS RN 264133-68-8
C_ID C00057299
InChIKey JRJWSYCVCKGBLU-UHFFFAOYSA-N
InChICode InChI=1S/C11H10O7S/c1-17-9-2-3-10-6(4-8(12)11(13)18-10)7(9)5-19(14,15)16/h2-4,12H,5H2,1H3,(H,14,15,16)
SMILES COc1ccc2oc(=O)c(O)cc2c1CS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMentha spicata Ref.
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