| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:05 UTC |
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| Update Date | 2025-03-25 00:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240300 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O9 |
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| Molecular Mass | 306.0951 |
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| SMILES | O=CC(CCC(=O)O)OC1C(O)CC(O)(C(=O)O)CC1O |
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| InChI Key | GDIVJZLMPRSWQI-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 | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | aldehydesalpha hydroxy acids and derivativescarbocyclic fatty acidscarboxylic acidscyclohexanolsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupethercarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfatty acidcarboxylic acid derivativedialkyl etherorganic oxidehydroxy fatty acidcyclohexanolaldehydehydroxy acidtertiary alcoholsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativequinic acid |
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