input word = C00039972

Metabolite InformationStructural formula
Name Pestalazine A
(+)-Pestalazine A
Formula C37H38N6O4
Mw 630.29545375
CAS RN 1082056-99-2
C_ID C00039972 ,
InChIKey YBZQMAQAADAOGH-REKSVPGONA-N
InChICode InChI=1S/C37H38N6O4/c1-20(2)15-27-32(44)40-28(33(45)39-27)17-22-19-38-31-23(22)11-8-13-25(31)37-18-30-34(46)41-29(16-21-9-4-3-5-10-21)35(47)43(30)36(37)42-26-14-7-6-12-24(26)37/h3-14,19-20,27-30,36,38,42H,15-18H2,1-2H3,(H,39,45)(H,40,44)(H,41,46)/t27-,28+,29-,30+,36-,37-/m1/s1
SMILES [C@@H]12N(C(=O)[C@H](NC1=O)Cc1ccccc1)[C@@H]1[C@](C2)(c2c(N1)cccc2)c1c2c(ccc1)c(c[nH]2)C[C@H]1C(=O)N[C@@H](C(=O)N1)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiAmphisphaeriaceaePestalotiopsis theae Ref.
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