input word = C00022338

Metabolite InformationStructural formula
Name 8alpha,12R-Epoxy-15-hydroxy-13E-labden-16-al
Formula C20H32O3
Mw 320.23514489
CAS RN 74513-50-1
C_ID C00022338 ,
InChIKey KLSZLVNNDDPPMI-WIJIVEHYNA-N
InChICode InChI=1S/C20H32O3/c1-18(2)8-5-9-19(3)16(18)6-10-20(4)17(19)12-15(23-20)14(13-22)7-11-21/h13,16-17,21H,5-12H2,1-4H3/b15-14-/t16-,17+,19-,20+/m1/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@H]1[C@](CC2)(O/C(=C(\C=O)/CCO)/C1)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilphium perfoliatum Ref.
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