input word = C00035229

Metabolite InformationStructural formula
Name 6,7-seco-Angustilobine B
(+)-6,7-Secoangustilobine B
Formula C20H24N2O3
Mw 340.17869265
CAS RN 112464-23-0
C_ID C00035229 ,
InChIKey SSQMYHQHWMKUFY-PIBXODDPNA-N
InChICode InChI=1S/C20H24N2O3/c1-22-9-7-16-15(12-22)8-10-25-13-20(16,19(23)24-2)18-11-14-5-3-4-6-17(14)21-18/h3-6,8,11,16,21H,7,9-10,12-13H2,1-2H3/t16-,20+/m0/s1
SMILES C1OC[C@]([C@@H]2C(=C1)CN(CC2)C)(C(=O)OC)c1[nH]c2c(c1)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia scholaris Ref.
PlantaeApocynaceaeWinchia calophylla Ref.
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