input word = C00029188

Metabolite InformationStructural formula
Name Veralodine
Formula C27H39NO3
Mw 425.29299412
CAS RN 41787-59-1
C_ID C00029188 ,
InChIKey JRKNTCDSHHKHTC-ZEXADLLBNA-N
InChICode InChI=1S/C27H39NO3/c1-14-4-7-22-15(2)18-5-6-19-20(24(18)26(31)28(22)13-14)12-21-25(19)23(30)11-16-10-17(29)8-9-27(16,21)3/h10,14-15,18-25,30H,4-9,11-13H2,1-3H3/t14-,15-,18-,19-,20-,21+,22+,23+,24-,25+,27+/m1/s1
SMILES C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4[C@@H](O)CC4=CC(=O)CC[C@@]45C)[C@@H]3C(=O)N2C1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeVeratrum lobelianum Ref.
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