input word = C00027322

Metabolite InformationStructural formula
Name Cherinonaine
Formula C40H44N2O11
Mw 728.29451026
CAS RN 202589-82-0
C_ID C00027322 ,
InChIKey GGWMKGFGKXXORT-HONZKESMNA-N
InChICode InChI=1S/C40H44N2O11/c1-49-35-19-25(5-11-31(35)43)9-15-39(47)41-29(17-27-7-13-33(45)37(21-27)51-3)23-53-24-30(18-28-8-14-34(46)38(22-28)52-4)42-40(48)16-10-26-6-12-32(44)36(20-26)50-2/h5-16,19-22,29-30,43-46H,17-18,23-24H2,1-4H3,(H,41,47)(H,42,48)/b15-9+,16-10+/t29-,30+
SMILES c1c(c(cc(c1)/C=C/C(=O)N[C@H](Cc1ccc(c(c1)OC)O)COC[C@@H](NC(=O)/C=C/c1cc(c(cc1)O)OC)Cc1ccc(c(c1)OC)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona cherimola Ref.
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