| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:15 UTC |
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| Update Date | 2025-03-25 00:49:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176808 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H30N4O12 |
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| Molecular Mass | 638.186 |
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| SMILES | O=C(O)CCc1c2cc3nc(cc4[nH]c(c(CCC(=O)O)c3CC(=O)O)c(CCC(=O)O)c4CC(=O)O)[nH]c(c1CC(=O)O)=CN2 |
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| InChI Key | CYIIIIFNIYZJJR-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrrolessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhexacarboxylic acid or derivativesamineorganoheterocyclic compoundorganooxygen compound |
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