input word = C00002001

Metabolite InformationStructural formula
Name Integerressine
Formula C33H38N4O4
Mw 554.28930573
CAS RN 17948-40-2
C_ID C00002001 ,
InChIKey QMQZKCJJHAIMPG-BKSXPBRMNA-N
InChICode InChI=1S/C33H38N4O4/c1-22(2)29(37(3)4)33(40)36-28-30(25-13-9-6-10-14-25)41-26-17-15-23(16-18-26)19-20-34-31(38)27(35-32(28)39)21-24-11-7-5-8-12-24/h5-20,22,27-30H,21H2,1-4H3,(H,34,38)(H,35,39)(H,36,40)/b20-19-/t27-,28-,29-,30+/m0/s1
SMILES CC(C)[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=Cc2ccc(cc2)O[C@@H]1c1ccccc1)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Phe
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeCeanothus integerrimus Ref.
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