| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:10 UTC |
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| Update Date | 2025-03-21 18:30:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081788 |
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| Frequency | 35.4 |
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| Structure | |
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| Chemical Formula | C15H17NO9 |
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| Molecular Mass | 355.0903 |
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| SMILES | O=C(CNC(=O)c1ccccc1O)OC1OC(C(=O)O)CC(O)C1O |
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| InChI Key | ZFSUMEDCDHDLDN-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalpha amino acidsalpha-amino acyl ester of carbohydratesbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssalicylamidessecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidpyran carboxylic acidbenzamideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesalpha-amino acid esterhippuric acid or derivativesbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acylglycinesalicylamideoxacyclesecondary carboxylic acid amidevinylogous acidorganic oxygen compoundsalicylic acid or derivativespyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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