input word = C00002318

Metabolite InformationStructural formula
Name (+)-Calycanthine
Calycanthine
Formula C22H26N4
Mw 346.21574686
CAS RN 595-05-1
C_ID C00002318 ,
InChIKey XSYCDVWYEVUDKQ-RACYZHBKNA-N
InChICode InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1
SMILES CN1CC[C@]23c4ccccc4N[C@H]1[C@]21CCN(C)[C@H]3Nc2ccccc21
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCalycanthaceaeCalycanthus floridus Ref.
PlantaeCalycanthaceaeCalycanthus floridus var. glaucus Ref.
PlantaeCalycanthaceaeCalycanthus occidentails Ref.
PlantaeCalycanthaceaeCalycanthus occidentalis Ref.
PlantaeCalycanthaceaeCalycanthus praecox Ref.
PlantaeRubiaceaePalicourea alpina Ref.
PlantaeRubiaceaePalicourea coriacea Ref.
--Idiospermun australiense Ref.
--Meratia praecox Ref.
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