input word = C00024530

Metabolite InformationStructural formula
Name Demethoxyanomaline
Formula C21H28N2O3
Mw 356.20999277
CAS RN 88669-30-1
C_ID C00024530 ,
InChIKey GLECKNNUNBFZHM-JSTABEAQNA-N
InChICode InChI=1S/C21H28N2O3/c1-3-20-9-7-16-21(10-12-22(19(20)21)11-8-17(20)26)14-5-4-6-15(25)18(14)23(16)13(2)24/h4-6,16-17,19,25-26H,3,7-12H2,1-2H3/t16-,17-,19-,20+,21-/m0/s1
SMILES CC[C@@]12CC[C@@H]3N(C(C)=O)c4c(O)cccc4[C@@]34CCN(CC[C@@H]1O)[C@@H]24
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMicroplumeria anomala Ref.
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