Details of Metabolite

General Information of MET (ID: META01278)
Name Skimmin
Synonyms   Click to Show/Hide Synonyms of This Metabolite
Skimmin; 93-39-0; 7-Hydroxycoumarin glucoside; UNII-H072F03PQN; H072F03PQN; 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; 7-Hydroxycoumarin-7-glucoside; C15H16O8; Umbelliferone, beta-D-glucopyranoside; Skimmin (8CI); NSC 267696; Glucopyranoside, umbelliferone, beta-D-; Coumarin, 7-(beta-D-glucopyranosyloxy)-; CHEMBL526377; SCHEMBL1944336; DTXSID201018989; HY-N2263; ZINC1559620; Skimmin, >=90% (LC/MS-UV); MFCD00017710; s9254; AKOS000277094
Structure Type Phenylpropanoids/polyketides
PubChem CID
99693
Formula
C15H16O8
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=99693"></iframe>
3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
Physicochemical Properties Molecular Weight 324.28 Topological Polar Surface Area 126
XlogP -0.7 Complexity 466
Heavy Atom Count 23 Rotatable Bond Count 3
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
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 Skimmin concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of skimmin 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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