| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:51:03 UTC |
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| Update Date | 2025-03-21 20:05:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00321964 |
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| Frequency | 6.0 |
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| Structure | |
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| Chemical Formula | C6H8O3 |
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| Molecular Mass | 128.0473 |
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| SMILES | O=C1C=CC(O)CCO1 |
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| InChI Key | AYYZPQOJWCXLOV-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 | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | enoate esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | enoate esteralcoholcarbonyl grouplactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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