| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:23 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181693 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19O13P |
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| Molecular Mass | 390.0563 |
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| SMILES | O=C(O)C(OC1C(O)CC(O)(C(=O)O)CC1O)C(O)COP(=O)(O)O |
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| InChI Key | PSJRKMSYOMIIAI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethersdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkyl phosphatesorganic oxidesshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfatty acidcarboxylic acid derivativedialkyl etherbeta-hydroxy acidorganic oxidecyclohexanolhydroxy acidtertiary alcoholphosphoric acid estermonoalkyl phosphatesecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic phosphoric acid derivativealkyl phosphatequinic acid |
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