input word = C00001416

Metabolite InformationStructural formula
Name Hordatine B
Formula C29H40N8O5
Mw 580.31216645
CAS RN 10502-21-3
C_ID C00001416 ,
InChIKey LRLXAXGCQUOKIO-JPZSFDCYNA-N
InChICode InChI=1S/C29H40N8O5/c1-41-22-17-18(6-11-23(39)34-12-2-4-14-36-28(30)31)16-21-24(27(40)35-13-3-5-15-37-29(32)33)25(42-26(21)22)19-7-9-20(38)10-8-19/h6-11,16-17,24-25,38H,2-5,12-15H2,1H3,(H,34,39)(H,35,40)(H4,30,31,36)(H4,32,33,37)/b11-6+/t24-,25+/m1/s1
SMILES c1cc(ccc1[C@H]1[C@@H](c2c(O1)c(cc(c2)/C=C/C(=O)NCCCCNC(=N)N)OC)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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