| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:20 UTC |
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| Update Date | 2025-03-25 00:52:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195084 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H35N3O4 |
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| Molecular Mass | 465.2628 |
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| SMILES | CCCc1c2[nH]c(c1C)Cc1[nH]c(c(C)c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)C2 |
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| InChI Key | LREILZNZTBPZDW-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic 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 compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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