input word = C00001903

Metabolite InformationStructural formula
Name Pilocereine
Formula C45H65N3O6
Mw 743.48733683
CAS RN 2552-47-8
C_ID C00001903 ,
InChIKey AFQDIEHIPKSXRL-UHFFFAOYNA-N
InChICode InChI=1S/C45H65N3O6/c1-26(2)19-33-32-25-37(36(50-10)22-29(32)13-16-46(33)7)53-45-41-31(15-18-48(9)35(41)21-28(5)6)24-39(52-12)43(45)54-44-40-30(23-38(51-11)42(44)49)14-17-47(8)34(40)20-27(3)4/h22-28,33-35,49H,13-21H2,1-12H3/t33-,34-,35-/m0/s1
SMILES N1(CCc2c([C@@H]1CC(C)C)c(c(c(c2)OC)O)Oc1c(c2c(cc1OC)CCN([C@H]2CC(C)C)C)Oc1c(cc2c(c1)[C@@H](N(CC2)C)CC(C)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCactaceaeLophocereus schottii Ref.
PlantaeCactaceaePilocereus sargentianus Ref.
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