input word = C00024030

Metabolite InformationStructural formula
Name Danshenol B
Formula C22H26O4
Mw 354.18310932
CAS RN 189308-09-6
C_ID C00024030 ,
InChIKey KZLPKGGMSDHTRS-WZIXZLBINA-N
InChICode InChI=1S/C22H26O4/c1-12-11-26-19-15-7-8-16-14(6-5-9-21(16,3)4)18(15)22(25,10-13(2)23)20(24)17(12)19/h7-8,12,25H,5-6,9-11H2,1-4H3/t12-,22-/m0/s1
SMILES C1CC(c2c(C1)c1c(cc2)C2=C(C(=O)[C@@]1(CC(=O)C)O)[C@H](CO2)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia miltiorhiza BUNGE Ref.
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