| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:38:43 UTC |
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| Update Date | 2025-03-24 21:43:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01869347 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C47H47N5O20 |
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| Molecular Mass | 1001.2814 |
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| SMILES | O=C(O)CCC1=C2NC(C(=O)O)=Cc3nc(cc4[nH]c(cc5nc(c(CC(=O)O)c3CCC(=O)O)C=C(N2)C(CCC(=O)O)=C5CC(=O)O)c(CC(=O)O)c4CCC(=O)O)C(CCC(=O)O)=C1CCC(=O)O |
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| InChI Key | HOJOUOBBILNZAU-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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsazepinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrrolessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acidheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamine |
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