input word = C00021420

Metabolite InformationStructural formula
Name Fercolide
Formula C23H26O6
Mw 398.17293856
CAS RN 104672-14-2
C_ID C00021420 ,
InChIKey ANKOXDUVGZYADZ-WYGTUWTANA-N
InChICode InChI=1S/C23H26O6/c1-13-9-10-23-17(14(2)20(25)29-23)12-18(24)22(23,3)19(11-13)28-21(26)15-5-7-16(27-4)8-6-15/h5-8,11,14,17,19H,9-10,12H2,1-4H3/t14-,17+,19+,22+,23-/m0/s1
SMILES [C@@]12([C@]3(CCC(=C[C@H]1OC(=O)c1ccc(cc1)OC)C)[C@H](CC2=O)[C@@H](C(=O)O3)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula communis Ref.
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