| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:09 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201604 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H33N3O8 |
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| Molecular Mass | 503.2268 |
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| SMILES | Cc1c(CC2CCC(=O)O2)[nH]c(Cc2[nH]c(CC(N)C(=O)O)c(C)c2CCC(=O)O)c1CCC(=O)O |
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| InChI Key | CNTXYDDBEOQKLA-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativeslactoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycletetrahydrofuranheteroaromatic compoundtetracarboxylic acid or derivativesgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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