| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:30 UTC |
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| Update Date | 2025-03-25 01:00:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243585 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22NO16P |
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| Molecular Mass | 491.0676 |
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| SMILES | CC(=O)NC1C(O)C(OC2OC(C(=O)O)C(O)C(O)C2OP(=O)(O)O)OC(C(=O)O)C1O |
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| InChI Key | HSAREUVLOMXQSH-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacetamidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesgamma amino acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonoalkyl phosphatesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativespentose phosphategamma amino acid or derivativeso-glucuronidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidephosphoric acid esterpyranmonoalkyl phosphatesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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