| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:36 UTC |
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| Update Date | 2025-03-25 00:48:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166148 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | CC1COC(C(=O)O)C(O)C1 |
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| InChI Key | JJDOKBKCFRWPBG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholcarbonyl groupethercarboxylic acidpyran carboxylic acid or derivativeshydroxy acidcarboxylic acid derivativedialkyl etheroxacyclebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxaneorganooxygen compound |
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