| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:55 UTC |
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| Update Date | 2025-03-21 18:31:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088217 |
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| Frequency | 32.1 |
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| Structure | |
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| Chemical Formula | C21H22O8 |
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| Molecular Mass | 402.1315 |
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| SMILES | O=C(O)CCc1c(CCC(=O)O)c(CC(=O)O)c2ccccc2c1CCC(=O)O |
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| InChI Key | FWDHRSHKNVFOCL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesnaphthalenesorganic oxides |
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| Substituents | carbonyl grouporganic oxidenaphthalenecarboxylic acidorganic oxygen compoundaromatic homopolycyclic compoundhydrocarbon derivativetetracarboxylic acid or derivativesbenzenoidorganooxygen compound |
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