| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:37 UTC |
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| Update Date | 2025-03-21 18:37:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114270 |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | O=C(O)c1ccccc1C(=O)OC1CCOC1 |
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| InChI Key | IMHINJPXKACNFP-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-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | ethercarboxylic acidaromatic heteromonocyclic compoundtetrahydrofuranbenzoylbenzoate estercarboxylic acid derivativedialkyl etheroxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundorganooxygen compound |
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