input word = C00041600

Metabolite InformationStructural formula
Name Integerrimide A
(-)-Integerrimide A
Formula C40H60N8O8
Mw 780.45341095
CAS RN 914294-42-1
C_ID C00041600 ,
InChIKey MUYJIBHYNYIVBX-FQYWMQIZNA-N
InChICode InChI=1S/C40H60N8O8/c1-21(2)15-28-36(52)44-29(16-22(3)4)37(53)45-30(17-23(5)6)38(54)47-34(24(7)49)40(56)48-14-10-13-32(48)39(55)46-31(35(51)42-20-33(50)43-28)18-25-19-41-27-12-9-8-11-26(25)27/h8-9,11-12,19,21-24,28-32,34,41,49H,10,13-18,20H2,1-7H3,(H,42,51)(H,43,50)(H,44,52)(H,45,53)(H,46,55)(H,47,54)/t24-,28+,29+,30+,31+,32+,34+/m1/s1
SMILES N1C(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1Cc1c[nH]c3c1cccc3)CC(C)C)CC(C)C)CC(C)C)[C@@H](C)O)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeJatropha integerrima Ref.
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