input word = C00001990

Metabolite InformationStructural formula
Name Adouetine Z
Formula C42H45N5O5
Mw 699.34206958
CAS RN 19542-40-6
C_ID C00001990 ,
InChIKey WQGSMNQYDWWZGF-TUESUGPRNA-N
InChICode InChI=1S/C42H45N5O5/c1-46(2)36(28-31-15-8-4-9-16-31)42(51)47-26-12-19-35(47)40(49)45-37-38(32-17-10-5-11-18-32)52-33-22-20-29(21-23-33)24-25-43-39(48)34(44-41(37)50)27-30-13-6-3-7-14-30/h3-11,13-18,20-25,34-38H,12,19,26-28H2,1-2H3,(H,43,48)(H,44,50)(H,45,49)/b25-24-/t34-,35-,36-,37-,38+/m0/s1
SMILES c12ccc(cc1)/C=C\NC(=O)[C@@H](NC(=O)[C@H]([C@H](O2)c1ccccc1)NC(=O)[C@H]1N(CCC1)C(=O)[C@H](Cc1ccccc1)N(C)C)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeWaltheria americana Ref.
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