| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:06 UTC |
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| Update Date | 2025-03-25 00:57:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222399 |
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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=CC1(C(=O)O)CCOC(=O)C1 |
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| InChI Key | LLSLBNBFIKLARH-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 | delta valerolactones |
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| Direct Parent | delta valerolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldehydescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | carbonyl groupcarboxylic aciddelta valerolactonealdehydecarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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