input word = C00021396

Metabolite InformationStructural formula
Name Pallinin
Formula C25H38O5
Mw 418.27192432
CAS RN 90695-04-8
C_ID C00021396 ,
InChIKey FVVSHRMUDMBKFA-GEMFNOJSNA-N
InChICode InChI=1S/C25H38O5/c1-9-17(6)22(26)29-19-13-16(5)14-20(30-23(27)18(7)10-2)24(8)11-12-25(28,15(3)4)21(19)24/h9-10,14-15,19-21,28H,11-13H2,1-8H3/b17-9-,18-10-/t19-,20+,21+,24+,25+/m0/s1
SMILES [C@@]12([C@@H]([C@H](CC(=C[C@H]1OC(=O)/C(=C\C)/C)C)OC(=O)/C(=C\C)/C)[C@@](CC2)(C(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula pallida Ref.
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OrganismFerula pallida
ReferenceKushmuradov,Chem. Nat. Comp.,22,(1986),48