| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:39 UTC |
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| Update Date | 2025-03-25 00:47:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159434 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O5 |
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| Molecular Mass | 186.0528 |
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| SMILES | O=CC1C(C(=O)O)=CC(O)CC1O |
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| InChI Key | XSJKPEFHNJDJSZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | secondary alcohols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | aldehydescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidaldehydecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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