| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:21:30 UTC |
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| Update Date | 2025-03-25 00:39:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02113018 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C45H49N5O13 |
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| Molecular Mass | 867.3327 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2c(CCC(=O)O)c3cc4nc(cc5[nH]c(cc2[nH]3)c(CC(=O)O)c5CCC(=O)O)C(CC(=O)O)=C4CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | WTPCAUAZQBMXBR-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 derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhexacarboxylic acid or derivativesorganoheterocyclic compoundorganooxygen compound |
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