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 [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O[C@H]1[C@@H]([C@](CO1)(COC(=O)/C=C/c1ccc(c(c1)OC)O)O)O)Oc1c(cc2c(c1)C[C@H](N2/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O)C(=O)O)O)COC(=O)CC(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCactaceaeHylocereus ocamponis Ref.
PlantaeCactaceaeHylocereus purpusii Ref.
PlantaeCactaceaeHylocereus undatus Ref.
zoom in