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 CCC12[C@H]3CCN4CC[C@@]5(c6ccccc6N(C)[C@H]5[C@](C(=O)OC)(O3)[C@H]1O)[C@@H]42
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus ovalis Ref.
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