input word = C00034450

Metabolite InformationStructural formula
Name Benthaminin 1
Formula C21H26O3
Mw 326.1881947
CAS RN 938067-97-1
C_ID C00034450 ,
InChIKey ZWGUMZQPAPPDMV-HZWUGFIUNA-N
InChICode InChI=1S/C21H26O3/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/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20-,21+/m1/s1
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia benthamiana Ref.
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