input word = C00029868

Metabolite InformationStructural formula
Name Caesaldekarin J
Formula C21H26O4
Mw 342.18310932
CAS RN 218603-17-9
C_ID C00029868 ,
InChIKey CALDUYGLNFEUDP-MRZQWFAENA-N
InChICode InChI=1S/C21H26O4/c1-13-14-6-10-21(23)19(2,8-5-9-20(21,3)18(22)24-4)16(14)12-17-15(13)7-11-25-17/h7,11-12,23H,5-6,8-10H2,1-4H3/t19-,20-,21+/m1/s1
SMILES c12c(c(c3c(c1)[C@@]1([C@@](CC3)([C@](CCC1)(C(=O)OC)C)O)C)C)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
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