| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:35 UTC |
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| Update Date | 2025-03-25 00:51:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186695 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO7 |
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| Molecular Mass | 299.1005 |
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| SMILES | Nc1c(O)cccc1C(=O)OC1CC(O)C(O)C(O)C1O |
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| InChI Key | BCGSNFJCEFFHLF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | m-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acids and derivativesbenzoyl derivativescarboxylic acid esterscyclitols and derivativescyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | amino acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundm-hydroxybenzoic acid esteralcoholvinylogous amidecyclohexanolcyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidcyclic alcoholaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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