| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:40:38 UTC |
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| Update Date | 2025-03-24 17:55:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01011969 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C49H52N4O12 |
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| Molecular Mass | 888.3582 |
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| SMILES | CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc5cc6[nH]c(c(CCC(=O)O)c4C)=CC(=C(CCC(=O)O)C1=Cc(n2)c(C)c5CCC(=O)O)C(C)=C6CCC(=O)O)c(CCC(=O)O)c3C |
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| InChI Key | RJCAKBGZNBMQSF-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 compoundsazepinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhexacarboxylic acid or derivativesorganoheterocyclic compoundorganooxygen compound |
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