input word = C00034477

Metabolite InformationStructural formula
Name Deoxycaesaldekarin C
Formula C21H30O3
Mw 330.21949482
CAS RN 4614-50-0
C_ID C00034477 ,
InChIKey CKWZZMAZBSXPHZ-SEUUOJHWNA-N
InChICode InChI=1S/C21H30O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11,13-14,16,18H,5-7,9-10,12H2,1-4H3/t13-,14+,16+,18-,20-,21+/m1/s1
SMILES COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@H]1[C@@H](C)c3ccoc3C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia benthamiana Ref.
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