input word = C00034376

Metabolite InformationStructural formula
Name 2'-(5''-O-E-Feruloylapiosyl)phyllocactin
Formula C42H44N2O23
Mw 944.23348573
CAS RN 290313-68-7
C_ID C00034376 ,
InChIKey VWLZAYDCIOIMPA-FZDUOVIHNA-N
InChICode InChI=1S/C42H44N2O23/c1-61-27-10-18(2-4-25(27)45)3-5-31(49)63-16-42(60)17-64-41(36(42)53)67-35-34(52)33(51)29(15-62-32(50)14-30(47)48)66-40(35)65-28-12-20-11-24(39(58)59)44(23(20)13-26(28)46)7-6-19-8-21(37(54)55)43-22(9-19)38(56)57/h2-8,10,12-13,22,24,29,33-36,40-41,45-46,51-53,60H,9,11,14-17H2,1H3,(H,47,48)(H,54,55)(H,56,57)(H,58,59)/b5-3+,7-6+/t22-,24-,29+,33+,34-,35+,36-,40+,41-,42+/m0/s1
SMILES COc1cc(/C=C/C(=O)OC[C@@]2(O)CO[C@@H](O[C@H]3C(Oc4cc5c(cc4O)N(/C=C/C4=CC(C(=O)O)=N[C@H](C(=O)O)C4)[C@H](C(=O)O)C5)O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCactaceaeHylocereus ocamponis Ref.
PlantaeCactaceaeHylocereus purpusii Ref.
PlantaeCactaceaeHylocereus undatus Ref.
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OrganismHylocereus purpusii
ReferenceWybraniec,Phytochem.,68,(2007),251