input word = C00034383

Metabolite InformationStructural formula
Name 2'-O-Apiosylphyllocactin
Formula C32H36N2O20
Mw 768.18614161
CAS RN 290313-63-2
C_ID C00034383 ,
InChIKey DHLKWTYFRQQWEW-FPEQPRHNNA-N
InChICode InChI=1S/C32H36N2O20/c35-10-32(49)11-51-31(26(32)42)54-25-24(41)23(40)20(9-50-22(39)8-21(37)38)53-30(25)52-19-6-13-5-17(29(47)48)34(16(13)7-18(19)36)2-1-12-3-14(27(43)44)33-15(4-12)28(45)46/h1-3,6-7,15,17,20,23-26,30-31,35-36,40-42,49H,4-5,8-11H2,(H,37,38)(H,43,44)(H,45,46)(H,47,48)/b2-1+/t15-,17-,20+,23-,24-,25+,26-,30+,31-,32+/m0/s1
SMILES c1(c(cc2c(c1)C[C@H](N2/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O[C@H]1[C@@H]([C@@](CO1)(O)CO)O
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 ocamponis
ReferenceWybraniec,Phytochem.,68,(2007),251