| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:47 UTC |
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| Update Date | 2025-03-25 00:46:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157505 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17ClO8 |
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| Molecular Mass | 360.0612 |
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| SMILES | O=C(O)CCc1ccc(OC2OC(C(=O)O)C(O)C(O)C2Cl)cc1 |
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| InChI Key | QHAGSCBPIXVPLR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsalkyl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidchlorohydrinaromatic heteromonocyclic compound3-phenylpropanoic-acidalkyl chlorideorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxideacetalalkyl halideoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshalohydrinhydroxy acidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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