| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:17 UTC |
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| Update Date | 2025-03-25 00:55:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211227 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO10 |
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| Molecular Mass | 371.0852 |
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| SMILES | CC(=O)NC1C(Oc2ccc(C(=O)O)c(O)c2)OC(C(=O)O)C(O)C1O |
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| InChI Key | QVOLNQYYTNXFTO-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | n-acyl-alpha-hexosamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacetamidesbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssalicylic acidssecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidesalicylic acidcarboxylic acid derivativepyran carboxylic acidn-acyl-alpha-hexosaminebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundacetamide1,2-diolalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide grouphydroxybenzoic acidoxacyclesecondary carboxylic acid amidevinylogous acidsalicylic acid or derivativespyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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