input word = C00044482

Metabolite InformationStructural formula
Name 7beta-Hydroxycatuabine F
Formula C23H28N2O8
Mw 460.18456589
CAS RN 526217-19-6
C_ID C00044482 ,
InChIKey MDUGELVVSRAARE-GIDNZSOENA-N
InChICode InChI=1S/C23H28N2O8/c1-24-7-5-6-14(24)23(29)33-21-16-11-13(10-15(19(21)26)25(16)2)32-22(28)12-8-17(30-3)20(27)18(9-12)31-4/h5-9,13,15-16,19,21,26-27H,10-11H2,1-4H3/t13-,15+,16-,19-,21+/m1/s1
SMILES c1(C(=O)O[C@@H]2C[C@H]3[C@H]([C@H]([C@@H](C2)N3C)OC(=O)c2cccn2C)O)cc(c(c(c1)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum vacciniifolium Ref.
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