input word = C00035576

Metabolite InformationStructural formula
Name di(2-Ethylhexyl) phthalate
Formula C24H38O4
Mw 390.2770097
CAS RN 117-81-7
C_ID C00035576 ,
InChIKey BJQHLKABXJIVAM-UHFFFAOYNA-N
InChICode InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/t19-,20-/m1/s1
SMILES c1ccc(c(c1)C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAlchornea cordifolia Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
--Caffea sp. Ref.
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