input word = C00026335

Metabolite InformationStructural formula
Name Isocinevanine
beta-Isovanilloyllupanine
Formula C23H30N2O5
Mw 414.21547208
CAS RN 36101-56-1
C_ID C00026335 ,
InChIKey JMRMZVBPNFZCFW-UHFFFAOYNA-N
InChICode InChI=1S/C23H30N2O5/c1-29-21-6-5-14(10-20(21)26)23(28)30-17-7-8-24-12-15-9-16(19(24)11-17)13-25-18(15)3-2-4-22(25)27/h5-6,10,15-19,26H,2-4,7-9,11-13H2,1H3/t15-,16-,17+,18+,19+/m1/s1
SMILES C1(=O)CCC[C@@H]2N1C[C@H]1C[C@@H]2CN2[C@H]1C[C@H](CC2)OC(=O)c1cc(c(cc1)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Sarothamnus patens (L.) Webb. Ref.
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OrganismSarothamnus patens (L.) Webb.
ReferenceFaugeras,Ann.Pharm.Fr.,30,(1972),527