| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:36 UTC |
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| Update Date | 2025-03-25 01:00:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243822 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18N2O9 |
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| Molecular Mass | 382.1012 |
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| SMILES | CC(=O)NC1C(O)CC(OC(=O)c2ccccc2N)(C(=O)O)OC1C(=O)O |
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| InChI Key | PDZCWZZVNBRTOJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesketalsorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoyltricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativepyran carboxylic acidorganic oxideacetalketalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholvinylogous amidepyran carboxylic acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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