input word = C00062129

Metabolite InformationStructural formula
Name Celafurine
Formula C21H27N3O3
Mw 369.20524175
CAS RN 53938-09-3
C_ID C00062129
InChIKey CNJPJUFFFBTCBZ-IBGZPJMESA-N
InChICode InChI=1S/C21H27N3O3/c25-20-15-19(17-7-2-1-3-8-17)22-10-4-5-12-24(13-6-11-23-20)21(26)18-9-14-27-16-18/h1-3,7-9,14,16,19,22H,4-6,10-13,15H2,(H,23,25)/t19-/m0/s1
SMILES O=C1CC(c2ccccc2)NCCCCN(C(=O)c2ccoc2)CCCN1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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