| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:01 UTC |
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| Update Date | 2025-03-21 18:05:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055081 |
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| Frequency | 58.2 |
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| Structure | |
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| Chemical Formula | C31H31N3O12 |
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| Molecular Mass | 637.1908 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)c2cc3[nH]c(cc4[nH]c(cc1n2)c(CCC(=O)O)c4CC(=O)O)c(CCC(=O)O)c3CCC(=O)O |
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| InChI Key | FSQBHQYMMLGYAH-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 | hexacarboxylic acids and derivatives |
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| Direct Parent | hexacarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhexacarboxylic acid or derivativesorganoheterocyclic compoundorganooxygen compound |
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