input word = C00061620

Metabolite InformationStructural formula
Name Diheptyl phthalate
Formula C22H34O4
Mw 362.24570957
CAS RN 3648-21-3
C_ID C00061620
InChIKey JQCXWCOOWVGKMT-UHFFFAOYSA-N
InChICode InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
SMILES CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
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