input word = C00002687

Metabolite InformationStructural formula
Name Agrimol C
Formula C36H44O12
Mw 668.28327687
CAS RN 55785-59-6
C_ID C00002687 ,
InChIKey PFWJPXGNICZIQB-UHFFFAOYSA-N
InChICode InChI=1S/C36H44O12/c1-8-11-22(37)25-31(43)20(14-18-28(40)16(4)35(47-6)26(33(18)45)23(38)12-9-2)30(42)21(32(25)44)15-19-29(41)17(5)36(48-7)27(34(19)46)24(39)13-10-3/h40-46H,8-15H2,1-7H3
SMILES c1(c(c(c(c(c1C)O)Cc1c(c(c(c(c1O)C(=O)CCC)O)Cc1c(c(c(c(c1O)C)OC)C(=O)CCC)O)O)O)C(=O)CCC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeAgrimonia pilosa Ref.
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