| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:21 UTC |
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| Update Date | 2025-03-25 00:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234077 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O7 |
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| Molecular Mass | 260.0896 |
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| SMILES | O=C(O)C1C(O)CC2CC(O)C(O)(C(=O)O)CC21 |
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| InChI Key | NZFLGPGSNRSXOA-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 homopolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidcyclic alcoholcarboxylic acid derivativealiphatic homopolycyclic compoundbeta-hydroxy acidtertiary alcoholorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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