input word = C00055801

Metabolite InformationStructural formula
Name Diisobutyl phthalate
Isobutyl phthalate
Formula C16H22O4
Mw 278.15180919
CAS RN 84-69-5
C_ID C00055801
InChIKey MGWAVDBGNNKXQV-UHFFFAOYSA-N
InChICode InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
SMILES CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAsteraceaePetasites hybridus Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeCeratophyllaceaeCeratophyllum demersum Ref.
PlantaeMagnoliaceaeMagnolia officinalis Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeZingiberaceaeCurcuma mangga Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
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OrganismNicotiana tabacum
Referencehttps://doi.org/10.1016/j.chroma.2004.03.057