Details of Metabolite

General Information of MET (ID: META01261)
Name Phthalic anhydride
Synonyms   Click to Show/Hide Synonyms of This Metabolite
PHTHALIC ANHYDRIDE; 85-44-9; Isobenzofuran-1,3-dione; 1,3-Isobenzofurandione; 2-Benzofuran-1,3-dione; 1,3-Dioxophthalan; 1,3-Phthalandione; Phthalic acid anhydride; o-Phthalic acid anhydride; Phthalsaeureanhydrid; Phthalandione; Retarder esen; Retarder AK; Retarder PD; Vulkalent B/C; 1,2-Benzenedicarboxylic anhydride; ESEN; Anidride ftalica; Ftaalzuuranhydride; Ftalowy bezwodnik; 1,2-Benzenedicarboxylic acid anhydride; Anhydride phtalique; Ftalanhydrid; RCRA waste number U190; NCI-C03601; TGL 6525; Anhydrid kyseliny ftalove; phtalic anhydride; UNII-UVL263I5BJ; NSC 10431; ortho-phthalic acid anhydride; Isobenzofuran, 1,3-dihydro-1,3-dioxo-; CHEBI:36605; MFCD00005918; 1,3-dihydro-2-benzofuran-1,3-dione
Structure Type   Phenylnaphthalenes  (Click to Show/Hide the Complete Structure Type Hierarchy)
Benzenoids
Naphthalenes
Phenylnaphthalenes
PubChem CID
6802
Formula
C8H4O3
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
Physicochemical Properties Molecular Weight 148.11 Topological Polar Surface Area 43.4
XlogP 1.3 Complexity 187
Heavy Atom Count 11 Rotatable Bond Count N.A.
Hydrogen Bond Donor Count N.A. Hydrogen Bond Acceptor Count 3
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transcription factor (TF)
            R2R3-MYB (AN2) Click to Show/Hide the Full List of Regulating Pair(s):   1 Pair(s)
               Detailed Information Protein   Info click to show the details of this protein
               Regulating Pair Experim Info click to show the details of experiment for validating this pair [1]
                      Introduced Variation Overexpression of AN2
                      Induced Change Phthalic anhydride concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of phthalic anhydride levels compared with control group.
References
1 Comprehensive Influences of Overexpression of a MYB Transcriptor Regulating Anthocyanin Biosynthesis on Transcriptome and Metabolome of Tobacco Leaves. Int J Mol Sci. 2019 Oct 16;20(20):5123.

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