input word = C00039973

Metabolite InformationStructural formula
Name Pestalazine B
(+)-Pestalazine B
Formula C37H38N6O4
Mw 630.29545375
CAS RN 1082057-01-9
C_ID C00039973 ,
InChIKey XGDLDPOMNWGMAL-ZDIMZQNFNA-N
InChICode InChI=1S/C37H38N6O4/c1-21(2)16-27-32(44)39-28(33(45)38-27)18-23-20-42(30-15-9-6-12-24(23)30)37-19-31-34(46)40-29(17-22-10-4-3-5-11-22)35(47)43(31)36(37)41-26-14-8-7-13-25(26)37/h3-15,20-21,27-29,31,36,41H,16-19H2,1-2H3,(H,38,45)(H,39,44)(H,40,46)/t27-,28+,29-,31+,36-,37+/m1/s1
SMILES [C@@H]12N(C(=O)[C@H](NC1=O)Cc1ccccc1)[C@@H]1[C@](C2)(c2c(N1)cccc2)n1c2ccccc2c(c1)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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