input word = C00056642

Metabolite InformationStructural formula
Name Juglansbenzoate
Formula C45H82O3
Mw 670.62639648
CAS RN 1207847-81-1
C_ID C00056642
InChIKey ULGAYRLZAZXZDS-UHFFFAOYSA-N
InChICode InChI=1S/C45H82O3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-38-42-48-45(46)43-39-35-36-40-44(43)47-41-37-33-31-29-27-14-12-10-8-6-4-2/h35-36,39-40H,3-34,37-38,41-42H2,1-2H3
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1OCCCCCCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJuglandaceaeJuglans regia Ref.
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OrganismJuglans regia
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 2, 188B

188C

2, 273C

2, 295D

2, 296A

2, 383B

2, 444B (ir)