input word = C00050528

Metabolite InformationStructural formula
Name Agrimol F
Formula C34H40O12
Mw 640.25197674
CAS RN 121693-16-1
C_ID C00050528
InChIKey CIVCQBPNDDPMAT-UHFFFAOYSA-N
InChICode InChI=1S/C34H40O12/c1-8-10-21(36)24-30(42)19(12-17-26(38)14(3)33(45-6)23(16(5)35)29(17)41)28(40)20(31(24)43)13-18-27(39)15(4)34(46-7)25(32(18)44)22(37)11-9-2/h38-44H,8-13H2,1-7H3
SMILES CCCC(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(C)=O)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeAgrimonia pilosa var.japonica Ref.
zoom in