| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:51 UTC |
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| Update Date | 2025-03-25 00:56:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219499 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H23NO10 |
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| Molecular Mass | 425.1322 |
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| SMILES | COc1cc(C=CC(=O)OC2CC(C(=O)NCC(=O)O)C(O)C(O)C2O)ccc1O |
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| InChI Key | XDFZYLFQVZZISJ-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherhydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenoate esteralcoholcyclohexanolcyclitol or derivativescyclic alcoholcarboxamide groupmethoxybenzenen-acylglycinehydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid esterorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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