input word = C00028257

Metabolite InformationStructural formula
Name Espinine
Formula C36H40N2O6
Mw 596.28863702
CAS RN 26137-40-6
C_ID C00028257 ,
InChIKey RMABHGZZUIKESI-SPFVONBBNA-N
InChICode InChI=1S/C36H40N2O6/c1-37-13-11-24-18-32(40)35(43-4)21-28(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-27-20-33(41)34(42-3)19-25(27)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30+/m0/s1
SMILES c12c(cc(c(c1)O)OC)CCN([C@@H]2Cc1cc(c(cc1)O)Oc1ccc(cc1)C[C@@H]1N(CCc2c1cc(c(c2)O)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeBerberis chilensis Ref.
PlantaeBerberidaceaeBerberis laurina Billb. Ref.
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