input word = C00024528

Metabolite InformationStructural formula
Name Deacetylcathovaline
Formula C22H28N2O4
Mw 384.2049074
CAS RN 56435-45-1
C_ID C00024528 ,
InChIKey ZMOKWLVFLGBZQY-YPJUSHBDNA-N
InChICode InChI=1S/C22H28N2O4/c1-4-20-15-9-11-24-12-10-21(16(20)24)13-7-5-6-8-14(13)23(2)17(21)22(28-15,18(20)25)19(26)27-3/h5-8,15-18,25H,4,9-12H2,1-3H3/t15-,16+,17-,18+,20-,21-,22+/m1/s1
SMILES c1ccc2c(c1)[C@@]13[C@@H](N2C)[C@]2([C@H]([C@]4([C@@H]1N(CC[C@H]4O2)CC3)CC)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus ovalis Ref.
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