| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:56 UTC |
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| Update Date | 2025-03-25 00:46:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157855 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14O5 |
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| Molecular Mass | 214.0841 |
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| SMILES | O=C(O)CCCC(O)CC1C=CC(=O)O1 |
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| InChI Key | VKIPGTZTXYYLBL-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 | butenolidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estersfatty acylsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactonesmedium-chain fatty acidsorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidcarboxylic acid derivativemedium-chain hydroxy acidlactonealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidealiphatic heteromonocyclic compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compounddihydrofuranenoate esteralcoholoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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