input word = C00002002

Metabolite InformationStructural formula
Name Integerrine
Formula C35H39N5O4
Mw 593.30020477
CAS RN 18397-13-2
C_ID C00002002 ,
InChIKey BDHCXPWIDHVEQN-WVUFIROWNA-N
InChICode InChI=1S/C35H39N5O4/c1-22(2)31(40(3)4)35(43)39-30-32(24-10-6-5-7-11-24)44-26-16-14-23(15-17-26)18-19-36-33(41)29(38-34(30)42)20-25-21-37-28-13-9-8-12-27(25)28/h5-19,21-22,29-32,37H,20H2,1-4H3,(H,36,41)(H,38,42)(H,39,43)/b19-18-/t29-,30-,31-,32+/m0/s1
SMILES c12ccc(cc1)/C=C\NC(=O)[C@@H](NC(=O)[C@H]([C@H](O2)c1ccccc1)NC(=O)[C@@H](N(C)C)C(C)C)Cc1c[nH]c2c1cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeCeanothus integerrimus Ref.
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