| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:11 UTC |
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| Update Date | 2025-03-25 00:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238234 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H29N5O12 |
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| Molecular Mass | 675.1813 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C(=O)O)c5CCC(=O)O)N4)c(CC(=O)O)c3CCC(=O)O |
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| InChI Key | BVYRTAKLBQHZAT-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 | 1-carboxy-2-haloaromatic compoundsamino acidsazacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspyrrole carboxylic acidssecondary aminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidpyrrole-3-carboxylic acid or derivativesamino acid or derivativesamino acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundhexacarboxylic acid or derivativesimidolactamorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundsecondary amineorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compoundamine |
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