input word = C00029236

Metabolite InformationStructural formula
Name Waziristanine
Formula C37H40N2O6
Mw 608.28863702
CAS RN 96497-83-5
C_ID C00029236 ,
InChIKey XVIJZZUKMXFAJB-ZTMACLEXNA-N
InChICode InChI=1S/C37H40N2O6/c1-38-12-10-22-16-30(40)32(42-3)20-26(22)28(38)14-21-6-8-25(9-7-21)45-33-18-24-15-29-35-23(11-13-39(29)2)17-34(43-4)37(44-5)36(35)27(24)19-31(33)41/h6-9,16-20,28-29,40-41H,10-15H2,1-5H3/t28-,29+/m0/s1
SMILES c1(ccc(cc1)Oc1cc2c(cc1O)c1c3[C@@H](C2)N(CCc3cc(c1OC)OC)C)C[C@@H]1N(CCc2c1cc(c(c2)O)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeBerberis waziristanica Ref.
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