| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:36 UTC |
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| Update Date | 2025-03-25 00:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202609 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O6 |
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| Molecular Mass | 252.0634 |
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| SMILES | O=C(O)c1ccccc1C(=O)OCC1OCCO1 |
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| InChI Key | DWTMENZABFGOSM-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 acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanes1-carboxy-2-haloaromatic compoundsacetalsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | meta-dioxolanecarboxylic acidaromatic heteromonocyclic compoundbenzoylbenzoate estercarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundacetalcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundorganooxygen compound |
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