input word = C00003369

Metabolite InformationStructural formula
Name Stramonin B
Formula C15H18O4
Mw 262.12050906
CAS RN 65179-88-6
C_ID C00003369 ,
InChIKey AYSAVJUPCHRCGO-WCXKZTIVNA-N
InChICode InChI=1S/C15H18O4/c1-8-3-4-10-12(19-13(17)15(10)7-18-15)14(2)9(8)5-6-11(14)16/h5-6,8-10,12H,3-4,7H2,1-2H3/t8-,9+,10+,12+,14?,15-/m0/s1
SMILES C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CO3)[C@]2(C)C(=O)C=C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium tomentosum var. stramonium Ref.
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