| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:42 UTC |
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| Update Date | 2025-03-25 00:56:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221487 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O5 |
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| Molecular Mass | 200.0685 |
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| SMILES | O=C(O)CCC1(CC(=O)O)CC=CO1 |
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| InChI Key | GEKCNZSILVIPMB-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 | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransfatty acylsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidcarboxylic acid derivativemedium-chain hydroxy acidoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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