input word = C00054387

Metabolite InformationStructural formula
Name Acidissiminin
Formula C43H65NO4
Mw 659.49135957
CAS RN 126005-91-2
C_ID C00054387
InChIKey AKRJIIVORCSJLA-LAWMERGMSA-N
InChICode InChI=1S/C43H65NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-42(45)48-41(31-26-36(2)3)37(4)33-35-47-40-29-27-38(28-30-40)32-34-44-43(46)39-23-20-19-21-24-39/h19-21,23-24,26-30,33,41H,5-18,22,25,31-32,34-35H2,1-4H3,(H,44,46)/b37-33+
SMILES CCCCCCCCCCCCCCCCCC(=O)OC(CC=C(C)C)/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeLimonia acidissima Ref.
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