| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:25:28 UTC |
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| Update Date | 2025-03-21 22:18:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00545660 |
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| Frequency | 3.1 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | O=C(O)C=C1CCOC1=O |
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| InChI Key | JWTZXVIYWNDQOI-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 | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estershydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | enoate estercarbonyl groupcarboxylic acidtetrahydrofurancarboxylic acid derivativegamma butyrolactoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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