| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:10 UTC |
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| Update Date | 2025-03-21 18:41:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134444 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C18H21NO10 |
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| Molecular Mass | 411.1165 |
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| SMILES | O=C(O)CNC(=O)C1(O)CC(O)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1 |
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| InChI Key | VEUCZAKYHYTQDD-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxycinnamic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidhydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenoate esteralcoholcyclohexanolcyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidcyclic alcoholcarboxamide groupn-acylglycinehydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid estertertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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