| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:14 UTC |
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| Update Date | 2025-03-25 00:47:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162982 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21NO7 |
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| Molecular Mass | 363.1318 |
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| SMILES | O=C(CCC(O)Cc1ccccc1)OC1C=C(C(=O)O)NC(C(=O)O)C1 |
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| InChI Key | ZQXYPRLVEMUBJR-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesfatty acid estershydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary alcoholstetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycletetrahydropyridinesecondary aminefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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