input word = C00051004

Metabolite InformationStructural formula
Name Isotanshinone IIA
Formula C19H18O3
Mw 294.12559444
CAS RN 20958-15-0
C_ID C00051004
InChIKey QHGPIJMPUOVBOL-UHFFFAOYSA-N
InChICode InChI=1S/C19H18O3/c1-10-9-22-18-14(10)16(20)12-6-7-13-11(15(12)17(18)21)5-4-8-19(13,2)3/h6-7,9H,4-5,8H2,1-3H3
SMILES Cc1coc2c1C(=O)c1ccc3c(c1C2=O)CCCC3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia miltiorrhiza Ref.
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OrganismSalvia miltiorrhiza
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993)