| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:06 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176466 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H22O7 |
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| Molecular Mass | 386.1366 |
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| SMILES | O=CCc1c(CCC(=O)O)c(CCC(=O)O)c(CCC(=O)O)c2ccccc12 |
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| InChI Key | QXOKUZTZJYLBGO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydescarboxylic acidshydrocarbon derivativesorganic oxidesphenylacetaldehydestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaldehydearomatic homopolycyclic compoundtricarboxylic acid or derivativescarboxylic acid derivativeorganic oxidenaphthaleneorganic oxygen compoundalpha-hydrogen aldehydehydrocarbon derivativeorganooxygen compoundphenylacetaldehyde |
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