input word = C00049794

Metabolite InformationStructural formula
Name Isocalycanthine
Formula C22H26N4
Mw 346.21574686
CAS RN 1399-92-4
C_ID C00049794 ,
InChIKey AFBDVRJGYHDJDS-UHFFFAOYNA-N
InChICode InChI=1S/C22H26N4/c1-25-13-11-21-15-7-3-6-10-18(15)24-20-22(21,12-14-26(20)2)16-8-4-5-9-17(16)23-19(21)25/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20+,21-,22+
SMILES [C@H]12Nc3c(cccc3)[C@]34[C@H](Nc5c([C@@]23CCN1C)cccc5)N(CC4)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePsychotria colorata Ref.
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