input word = C00014095

Metabolite InformationStructural formula
Name 2''-O-(2'''-Methylbutyryl)isoswertisin
3''-O-2-Methylbutyrylisoswertisin
Isoswertisin 3''-O-(2'''-methylbutyrate)
Formula C27H30O11
Mw 530.1788118
CAS RN 681152-40-9
C_ID C00014095 ,
InChIKey OHXSEHQAFDYWTK-UIHRSXDHNA-N
InChICode InChI=1S/C27H30O11/c1-4-12(2)27(34)38-26-22(32)19(11-28)37-25(23(26)33)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)O[C@@H]1C(O)[C@H](c2c(OC)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OC(CO)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeTrollius ledebouri Ref.
PlantaeRanunculaceaeTrollius ledebourii Ref.
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