input word = C00034451

Metabolite InformationStructural formula
Name Benthaminin 2
Formula C21H28O3
Mw 328.20384476
CAS RN 938067-98-2
C_ID C00034451 ,
InChIKey BITNDSYDSKLXKB-VAJYEVSLNA-N
InChICode InChI=1S/C21H28O3/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/h8,11,14,16,18H,1,5-7,9-10,12H2,2-4H3/t14-,16-,18+,20+,21-/m0/s1
SMILES C=C1c2ccoc2C[C@H]2[C@H]1CC[C@@H]1[C@]2(C)CCC[C@]1(C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia benthamiana Ref.
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