| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:19 UTC |
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| Update Date | 2025-03-25 00:45:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149504 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20N2O6 |
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| Molecular Mass | 360.1321 |
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| SMILES | Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C(=O)O)C2 |
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| InChI Key | VSJOVCXGJQFIDO-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acidsvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarboxylic acidazacyclepyrrole-3-carboxylic acid or derivativesheteroaromatic compoundtricarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundpyrrole-3-carboxylic acidorganoheterocyclic compoundorganooxygen compound |
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