input word = C00036567

Metabolite InformationStructural formula
Name 4beta,8alpha-Dihydroxy-6alpha-vanilloyloxydauc-9-ene
Formula C23H32O6
Mw 404.21988875
CAS RN 126655-18-3
C_ID C00036567 ,
InChIKey VSBPKNDASTZGIN-IXIMSMKHNA-N
InChICode InChI=1S/C23H32O6/c1-14(2)23(27)11-9-21(3)8-10-22(4,26)13-18(19(21)23)29-20(25)15-6-7-16(24)17(12-15)28-5/h6-8,10,12,14,18-19,24,26-27H,9,11,13H2,1-5H3/t18-,19+,21+,22-,23+/m0/s1
SMILES C1=C[C@]2([C@@H]([C@H](C[C@@]1(C)O)OC(=O)c1cc(c(cc1)O)OC)[C@@](CC2)(C(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula kuhistanica Ref.
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