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 COc1cc2c(cc1Oc1c(Oc3c(O)c(OC)cc4c3C(CC(C)C)N(C)CC4)c(OC)cc3c1C(CC(C)C)N(C)CC3)C(CC(C)C)N(C)CC2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCactaceaeLophocereus schottii Ref.
PlantaeCactaceaePilocereus sargentianus Ref.
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OrganismPilocereus sargentianus
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21