input word = C00034628

Metabolite InformationStructural formula
Name Phyllocactin
Formula C27H28N2O16
Mw 636.14388286
CAS RN 15167-85-8
C_ID C00034628 ,
InChIKey RCMQSTDOCANJCT-IGNNFEJGNA-N
InChICode InChI=1S/C27H28N2O16/c30-16-7-14-11(5-15(26(41)42)29(14)2-1-10-3-12(24(37)38)28-13(4-10)25(39)40)6-17(16)44-27-23(36)22(35)21(34)18(45-27)9-43-20(33)8-19(31)32/h1-3,6-7,13,15,18,21-23,27,30,34-36H,4-5,8-9H2,(H,31,32)(H,37,38)(H,39,40)(H,41,42)/b2-1+/t13-,15-,18+,21+,22-,23+,27+/m0/s1
SMILES [C@@H]1(N(c2c(C1)cc(c(c2)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O)/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCactaceaeHylocereus ocamponis Ref.
PlantaeCactaceaeHylocereus polyrhizus Ref.
PlantaeCactaceaeHylocereus purpusii Ref.
PlantaeCactaceaeHylocereus undatus Ref.
PlantaeCactaceaeSchlumbergera x buckleyi Ref.
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OrganismHylocereus purpusii
ReferenceWybraniec,Phytochem.,68,(2007),251