input word = C00050529

Metabolite InformationStructural formula
Name Agrimol G
Formula C36H44O12
Mw 668.28327687
CAS RN 121693-17-2
C_ID C00050529
InChIKey FBKJBTAHNUQRBX-UHFFFAOYSA-N
InChICode InChI=1S/C36H44O12/c1-13(2)25(37)22-31(43)20(11-18-28(40)16(7)35(47-9)23(33(18)45)26(38)14(3)4)30(42)21(32(22)44)12-19-29(41)17(8)36(48-10)24(34(19)46)27(39)15(5)6/h13-15,40-46H,11-12H2,1-10H3
SMILES COc1c(C)c(O)c(Cc2c(O)c(Cc3c(O)c(C)c(OC)c(C(=O)C(C)C)c3O)c(O)c(C(=O)C(C)C)c2O)c(O)c1C(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeAgrimonia pilosa var.japonica Ref.
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