input word = C00001700

Metabolite InformationStructural formula
Name Calycanthidine
Formula C23H28N4
Mw 360.23139692
CAS RN 5516-85-8
C_ID C00001700 ,
InChIKey GSQUXSFTXJRLQJ-WUCNRWSDNA-N
InChICode InChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3/t20-,21+,22+,23+/m1/s1
SMILES [C@@H]12[C@@](c3c(N1C)cccc3)(CCN2C)[C@]12[C@H](Nc3c1cccc3)N(CC2)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCalycanthaceaeCalycanthus floridus Ref.
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