| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:35 UTC |
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| Update Date | 2025-03-25 00:54:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209525 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C37H37N5O12 |
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| Molecular Mass | 743.2439 |
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| SMILES | CC1=C(CCC(=O)O)C2=NC1=Cc1[nH]c(c(CCC(=O)O)c1CC(=O)O)C=C1N=C(C=C3NC(=C3CCC(=O)O)NC(C(=O)O)=C2)C(CCC(=O)O)=C1C |
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| InChI Key | PCUPUHLIAFYYPE-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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