input word = C00024029

Metabolite InformationStructural formula
Name Danshenol A
Formula C21H20O4
Mw 336.13615913
CAS RN 189308-08-5
C_ID C00024029 ,
InChIKey WQYKPUPMMFGHQW-KTBMPLBHNA-N
InChICode InChI=1S/C21H20O4/c1-11-5-4-6-15-14(11)7-8-16-18(15)21(24,9-13(3)22)20(23)17-12(2)10-25-19(16)17/h4-8,12,24H,9-10H2,1-3H3/t12-,21-/m0/s1
SMILES CC(=O)C[C@@]1(O)C(=O)C2=C(OC[C@@H]2C)c2ccc3c(C)cccc3c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia miltiorhiza BUNGE Ref.
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