input word = C00034464

Metabolite InformationStructural formula
Name Chamaedrine
Formula C36H41N5O4
Mw 607.31585483
CAS RN 934760-56-2
C_ID C00034464 ,
InChIKey VLIMIPZMVDYYFR-IOVIACNNNA-N
InChICode InChI=1S/C36H41N5O4/c1-23(2)33-32(40-35(43)31(41(3)4)20-25-10-6-5-7-11-25)36(44)39-30(21-26-22-38-29-13-9-8-12-28(26)29)34(42)37-19-18-24-14-16-27(45-33)17-15-24/h5-19,22-23,30-33,38H,20-21H2,1-4H3,(H,37,42)(H,39,44)(H,40,43)/b19-18-/t30-,31-,32-,33-/m0/s1
SMILES c1cc2ccc1O[C@H]([C@@H](C(=O)N[C@H](C(=O)N/C=C\2)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](N(C)C)Cc1ccccc1)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeMelochia chamaedrys Ref.
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OrganismMelochia chamaedrys
ReferenceDias,Phytochem.,68,(2007),668