input word = C00034629

Metabolite InformationStructural formula
Name Phyllocactin II
Formula C27H28N2O16
Mw 636.14388286
CAS RN 923571-30-6
C_ID C00034629 ,
InChIKey IKFMLZRWSCLOMP-HXWYZXLJNA-N
InChICode InChI=1S/C27H28N2O16/c30-9-18-23(45-20(34)8-19(32)33)21(35)22(36)27(44-18)43-17-6-11-5-15(26(41)42)29(14(11)7-16(17)31)2-1-10-3-12(24(37)38)28-13(4-10)25(39)40/h1-3,6-7,13,15,18,21-23,27,30-31,35-36H,4-5,8-9H2,(H,32,33)(H,37,38)(H,39,40)(H,41,42)/b2-1+/t13-,15-,18+,21+,22+,23+,27+/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)CO)OC(=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.
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