| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:14 UTC |
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| Update Date | 2025-03-21 18:37:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118225 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C12H14O6 |
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| Molecular Mass | 254.079 |
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| SMILES | O=C(O)c1ccc(C2OC(CO)C(O)C2O)cc1 |
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| InChI Key | VDNQHEXACQDXRH-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 | benzoyl derivativescarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholethercarboxylic acidaromatic heteromonocyclic compoundtetrahydrofuranbenzoylmonosaccharidecarboxylic acid derivativedialkyl etheroxacyclesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzoic acidprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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