input word = C00036690

Metabolite InformationStructural formula
Name Adouetine Y'
Formula C31H42N4O4
Mw 534.32060586
CAS RN 19542-39-3
C_ID C00036690 ,
InChIKey NFJKQANKUCVGAW-KWAMMXEVNA-N
InChICode InChI=1S/C31H42N4O4/c1-7-21(4)26-30(37)32-18-17-22-13-15-24(16-14-22)39-28(20(2)3)27(31(38)33-26)34-29(36)25(35(5)6)19-23-11-9-8-10-12-23/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,37)(H,33,38)(H,34,36)/b18-17+/t21-,25+,26+,27+,28-/m1/s1
SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C)[C@@H](C(C)C)Oc2ccc(cc2)/C=C/NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeWaltheria douradinha Ref.
PlantaeRhamnaceaeCondalia buxifolia Reissek Ref.
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