input word = C00014094

Metabolite InformationStructural formula
Name Isoswertisin 2''-O-(2'''-methylbutyrate)
Formula C27H30O11
Mw 530.1788118
CAS RN 681152-39-6
C_ID C00014094 ,
InChIKey NMPAISVEPHNOCP-OWXOSZMHNA-N
InChICode InChI=1S/C27H30O11/c1-4-12(2)27(34)38-26-23(33)22(32)19(11-28)37-25(26)21-18(35-3)10-16(31)20-15(30)9-17(36-24(20)21)13-5-7-14(29)8-6-13/h5-10,12,19,22-23,25-26,28-29,31-33H,4,11H2,1-3H3/t12-,19-,22-,23-,25-,26-/m0/s1
SMILES CCC(C)C(=O)OC1[C@@H](O)[C@H](O)C(CO)O[C@H]1c1c(OC)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeTrollius ledebouri Ref.
zoom in



OrganismTrollius ledebouri
ReferenceZou,J.Nat.Prod.,67,(2004),664