input word = C00034472

Metabolite InformationStructural formula
Name Daechuine S4
Formula C28H44N4O4
Mw 500.33625592
CAS RN 19526-08-0
C_ID C00034472 ,
InChIKey ATHPWFKIPWYJNV-LUNBDYHANA-N
InChICode InChI=1S/C28H44N4O4/c1-9-18(5)22-26(33)29-16-15-20-11-13-21(14-12-20)36-25(17(3)4)23(27(34)30-22)31-28(35)24(32(7)8)19(6)10-2/h11-19,22-25H,9-10H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b16-15+/t18-,19-,22-,23-,24-,25+/m0/s1
SMILES c1cc2/C=C/NC(=O)[C@@H](NC(=O)[C@H]([C@H](Oc1cc2)C(C)C)NC(=O)[C@@H](N(C)C)[C@@H](C)CC)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus jujube var. inermis Ref.
PlantaeRhamnaceaeZizyphus vulgaris var.spinosus Ref.
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OrganismZizyphus jujube var. inermis
ReferenceMartinez-Luis,Phytochem.,68,(2007),1882