| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:14 UTC |
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| Update Date | 2025-03-25 00:49:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174409 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21NO8 |
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| Molecular Mass | 379.1267 |
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| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)CC1OC(=O)C=Cc1ccccc1O |
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| InChI Key | SJZFYPFZUXSRRX-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 derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclohexanolsdicarboxylic 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 acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativehydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideenoate estercyclohexanolhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide grouphydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid estertertiary alcoholcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundquinic acid |
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