| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:28 UTC |
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| Update Date | 2025-03-25 00:46:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156845 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15ClO7 |
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| Molecular Mass | 318.0506 |
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| SMILES | O=C(OC1OC(CCl)C(O)C(O)C1O)c1ccccc1O |
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| InChI Key | LYXSYHKWKMAWBJ-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 | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl chloridesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanessalicylic acid and derivativessecondary alcoholsvinylogous acids |
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| Substituents | aromatic heteromonocyclic compoundalkyl chlorideorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeorganohalogen compoundsaccharideorganic oxideacetalalkyl halideoxaneorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholphenolhydrocarbon derivativeorganooxygen compound |
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