input word = C00051003

Metabolite InformationStructural formula
Name Isotanshinone I
Formula C18H12O3
Mw 276.07864425
CAS RN 20958-17-2
C_ID C00051003
InChIKey XYKZSUXWBGUGQV-UHFFFAOYSA-N
InChICode InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-8H,1-2H3
SMILES Cc1coc2c1C(=O)c1ccc3c(C)cccc3c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia miltiorrhiza Ref.
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