| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:18 UTC |
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| Update Date | 2025-03-25 00:50:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181483 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O6 |
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| Molecular Mass | 244.0947 |
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| SMILES | O=C(O)CCCCC1CC=CC(O)(C(=O)O)O1 |
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| InChI Key | VWXOQQCFQHTLOP-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesheterocyclic fatty acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativemedium-chain hydroxy acidoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compounddicarboxylic acid or derivativeshemiacetalhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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