input word = C00044479

Metabolite InformationStructural formula
Name 7beta-Acetylcatuabine E
Formula C22H27N3O6
Mw 429.18998562
CAS RN 526217-17-4
C_ID C00044479 ,
InChIKey YSCZZGHQMKFFFY-XHXDZAPGNA-N
InChICode InChI=1S/C22H27N3O6/c1-13(26)29-19-17-11-14(30-21(27)15-7-5-9-23(15)2)12-18(25(17)4)20(19)31-22(28)16-8-6-10-24(16)3/h5-10,14,17-20H,11-12H2,1-4H3/t14-,17-,18+,19+,20-/m1/s1
SMILES c1(cccn1C)C(=O)O[C@@H]1C[C@@H]2[C@@H]([C@@H]([C@H](C1)N2C)OC(=O)c1cccn1C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum vacciniifolium Ref.
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