input word = C00031914

Metabolite InformationStructural formula
Name Isotanshinone II
Formula C18H12O3
Mw 276.07864425
CAS RN 98249-39-9
C_ID C00031914 ,
InChIKey ONUSCCKLNWURMA-UHFFFAOYSA-N
InChICode InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)18-14(10(2)8-21-18)17(20)16(13)19/h3-8H,1-2H3
SMILES Cc1coc2c1C(=O)C(=O)c1ccc3c(C)cccc3c1-2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia glutinosa Ref.
PlantaeLabiataeSalvia mellifera GREENE Ref.
PlantaeLabiataeSalvia multiorrhiza Ref.
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