| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:00 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153491 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H23NO8 |
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| Molecular Mass | 393.1424 |
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| SMILES | COc1ccc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2NC(C)=O)cc1 |
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| InChI Key | MITNJPHTLAGAJY-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 | acetamidesalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidscinnamic acids and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideenoate estercyclohexanolhydroxy acidcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid estertertiary alcoholanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundquinic acid |
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