| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:12 UTC |
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| Update Date | 2025-03-25 00:53:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199432 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24O6 |
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| Molecular Mass | 324.1573 |
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| SMILES | Cc1cccc(C(=O)O)c1OC1OC(C(O)O)C(C)C(C)C1C |
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| InChI Key | DSXYSDXZIPMXMF-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 | benzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetalsbenzoyl derivativescarbonyl hydrateshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundstoluenes |
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| Substituents | phenol ethercarboxylic acidcarbonyl hydratearomatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundoxanetolueneorganoheterocyclic compoundorganooxygen compound |
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