input word = C00062128

Metabolite InformationStructural formula
Name Celacinnine
Formula C25H31N3O2
Mw 405.24162726
CAS RN 53938-05-9
C_ID C00062128
InChIKey OROFOUPCOTVAJQ-NSFRLNINSA-N
InChICode InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1
SMILES O=C1CC(c2ccccc2)NCCCCN(C(=O)C=Cc2ccccc2)CCCN1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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