input word = C00039031

Metabolite InformationStructural formula
Name Dihydroisotanshinone II
Formula C18H14O3
Mw 278.09429431
CAS RN 260397-58-8
C_ID C00039031 ,
InChIKey KWKITVVBQQLHBB-UEQNJFAPNA-N
InChICode InChI=1S/C18H14O3/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/h3-7,10H,8H2,1-2H3/t10-/m1/s1
SMILES c1cc(c2c(c1)c1c(cc2)C(=O)C(=O)C2=C1OC[C@H]2C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia glutinosa Ref.
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OrganismSalvia glutinosa
ReferenceNagy,Phytochem.,52,(1999),1105