| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:24 UTC |
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| Update Date | 2025-03-25 00:58:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234195 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H36N4O7 |
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| Molecular Mass | 552.2584 |
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| SMILES | Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)NCC(=O)O)C2 |
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| InChI Key | SOXAPPGTSCPXNK-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amidetricarboxylic acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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