input word = C00027820

Metabolite InformationStructural formula
Name Aglain A
(+)-Aglain A
Formula C38H44N2O9
Mw 672.30468102
CAS RN 177262-31-6
C_ID C00027820 ,
InChIKey HCNJABPCRMQADU-OXXDFRGANA-N
InChICode InChI=1S/C38H44N2O9/c1-7-22(2)34(42)39-30-14-11-19-40(30)35(43)33-31(24-12-9-8-10-13-24)38(25-15-17-26(45-4)18-16-25)36(48-23(3)41)37(33,44)32-28(47-6)20-27(46-5)21-29(32)49-38/h8-10,12-13,15-18,20-22,30-31,33,36,44H,7,11,14,19H2,1-6H3,(H,39,42)/t22-,30-,31-,33+,36+,37+,38+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@]1([C@H]([C@@H]([C@]2([C@H]1OC(=O)C)O)C(=O)N1CCC[C@H]1NC(=O)[C@H](CC)C)c1ccccc1)c1ccc(cc1)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAglaia argentea Ref.
PlantaeMeliaceaeAglaia elliptica Ref.
PlantaeMeliaceaeAglaia forbesii Ref.
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