input word = C00046227

Metabolite InformationStructural formula
Name Oleoyl danshenxinkun A
(-)-Oleoyl danshenxinkun A
Formula C36H48O5
Mw 560.35017464
CAS RN 345957-11-1
C_ID C00046227 ,
InChIKey CKCNLHQWTDJDRS-QXMHVHEDNA-N
InChICode InChI=1S/C36H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31(37)41-25-27(3)32-34(38)30-24-23-28-26(2)20-19-21-29(28)33(30)36(40)35(32)39/h11-12,19-21,23-24,27,39H,4-10,13-18,22,25H2,1-3H3/b12-11-/t27-/m0/s1
SMILES c1cc(c2c(c1)c1c(cc2)C(=O)C(=C(C1=O)O)[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia miltiorrhiza Ref.
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