| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:54 UTC |
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| Update Date | 2025-03-21 17:59:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024056 |
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| Frequency | 162.4 |
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| Structure | |
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| Chemical Formula | C7H8O4 |
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| Molecular Mass | 156.0423 |
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| SMILES | O=C(O)CC(O)c1ccco1 |
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| InChI Key | NUKLZDAWVIVICG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholscarbonyl compoundscarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholfurancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativeoxacyclebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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