input word = C00063493

Metabolite InformationStructural formula
Name 1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-2,2-dimethylisoquinolinium
Formula C21H28NO4
Mw 358.20183339
CAS RN 952311-91-0
C_ID C00063493
InChIKey VHLMUHYXPXECPC-UHFFFAOYSA-O
InChICode InChI=1S/C21H27NO4/c1-22(2)9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-19(24-3)18(23)11-14/h6-7,11-13,17H,8-10H2,1-5H3/p+1
SMILES COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMagnoliaceaeMagnolia officinalis Ref.
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OrganismMagnolia officinalis
Referencehttps://doi.org/10.3390/molecules18077739