input word = C00001998

Metabolite InformationStructural formula
Name Frangulanine
Formula C28H44N4O4
Mw 500.33625592
CAS RN 25350-22-5
C_ID C00001998 ,
InChIKey ULQXKOIGVXLOOC-QIUVODOKNA-N
InChICode InChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-/t19-,22-,23-,24-,25-/m0/s1
SMILES c12ccc(cc1)/C=C\NC(=O)[C@@H](NC(=O)[C@H]([C@@H](O2)C(C)C)NC(=O)[C@H]([C@H](CC)C)N(C)C)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeCeanothus americanus Ref.
PlantaeRhamnaceaeHovenia dulcis Ref.
PlantaeRhamnaceaeRhamnus frangula Ref.
PlantaeRhamnaceaeZizyphus jujuba var.inermis Ref.
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