| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:34 UTC |
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| Update Date | 2025-03-25 00:52:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191133 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO9 |
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| Molecular Mass | 369.106 |
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| SMILES | CC(=O)NC1C(OC(=O)c2ccccc2O)C(O)CC(O)(C(=O)O)C1O |
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| InChI Key | UMSSZXGPDHOJJO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesalpha hydroxy acids and derivativesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesgamma amino acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssalicylic acid and derivativessecondary carboxylic acid amidestertiary alcoholsvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidgamma amino acid or derivativesalpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate estercarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidecyclohexanolbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidtertiary alcoholsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundquinic acid |
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