input word = C00001415

Metabolite InformationStructural formula
Name Hordatine A
Formula C28H38N8O4
Mw 550.30160176
CAS RN 7073-64-5
C_ID C00001415 ,
InChIKey KVYNYRIOAYQBFK-WSHNJGOUNA-N
InChICode InChI=1S/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/b12-6+/t24-,25+/m1/s1
SMILES c1cc(ccc1[C@H]1[C@@H](c2c(O1)ccc(c2)/C=C/C(=O)NCCCCNC(=N)N)C(=O)NCCCCNC(=N)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaePoaceaeHordeum vulgare Ref.
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