| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:45 UTC |
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| Update Date | 2025-03-25 00:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221608 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O5 |
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| Molecular Mass | 172.0372 |
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| SMILES | O=C(O)CC(O)C1C=CC(=O)O1 |
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| InChI Key | CENSEUQACMJITC-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 | beta hydroxy acids and derivatives |
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| Direct Parent | beta 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 estershydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | enoate esteralcoholcarbonyl groupcarboxylic acidcarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanonebeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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