input word = C00027821

Metabolite InformationStructural formula
Name Aglain B
(+)-Aglain B
Formula C36H42N2O8
Mw 630.29411633
CAS RN 177262-32-7
C_ID C00027821 ,
InChIKey KPCVKSYNYMIDEN-LVBFMADENA-N
InChICode InChI=1S/C36H42N2O8/c1-6-21(2)32(39)37-28-13-10-18-38(28)33(40)31-29(22-11-8-7-9-12-22)36(23-14-16-24(43-3)17-15-23)34(41)35(31,42)30-26(45-5)19-25(44-4)20-27(30)46-36/h7-9,11-12,14-17,19-21,28-29,31,34,41-42H,6,10,13,18H2,1-5H3,(H,37,39)/t21-,28-,29-,31+,34+,35+,36+/m0/s1
SMILES CC[C@H](C)C(=O)N[C@@H]1CCCN1C(=O)[C@H]1[C@H](c2ccccc2)[C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3[C@]1(O)C2O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAglaia argentea Ref.
PlantaeMeliaceaeAglaia forbesii Ref.
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