Details of Metabolite

General Information of MET (ID: META00924)
Name 6''-Acetylapiin
Synonyms   Click to Show/Hide Synonyms of This Metabolite
(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetic acid; Apiin', 6''-Acetylapiin
Source Food
Structure Type   Flavonoid glycosides  (Click to Show/Hide the Complete Structure Type Hierarchy)
Phenylpropanoids and polyketides
Flavonoids
Flavonoid glycosides
PubChem CID
85174581
HMDB ID
HMDB0035464
Formula
C28H30O15
Structure
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3D MOL is unavailable 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
FooDB ID
FDB014149
Physicochemical Properties Molecular Weight 606.5 Topological Polar Surface Area 231
XlogP -0.3 Complexity 1030
Heavy Atom Count 43 Rotatable Bond Count 9
Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 15
Function
6''-Acetylapiin is found in herbs and spices. 6''-Acetylapiin is a constituent of parsley
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 6''-Acetylapiin concentration: decrease (FC = 0.01)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the decrease of 6''-acetylapiin 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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