| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:13:27 UTC |
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| Update Date | 2025-03-24 20:39:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01522427 |
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| Frequency | 0.8 |
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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=CC1OC(=O)CCC1=O |
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| InChI Key | LLYNPCZQHAWJTD-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsaldehydesalpha-acyloxy aldehydesalpha-acyloxy ketonescarboxylic acid esterscyclic ketonesdelta valerolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanespyrans |
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| Substituents | carbonyl grouppyran carboxylic acid or derivativesalpha-acyloxy ketonedelta valerolactonealdehydecyclic ketonecarboxylic acid derivativeketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compoundoxanedelta_valerolactonealpha-acyloxy aldehydeorganooxygen compound |
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