| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:56 UTC |
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| Update Date | 2025-03-25 00:46:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157862 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14O7 |
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| Molecular Mass | 246.074 |
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| SMILES | O=C(O)CCCC1CC(O)(C(=O)O)CC(=O)O1 |
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| InChI Key | BWBOAYKEJVREHD-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanestertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic aciddelta valerolactonealpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidlactoneoxacycletertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeoxanedelta_valerolactoneorganoheterocyclic compoundorganooxygen compound |
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