| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:12 UTC |
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| Update Date | 2025-03-25 00:58:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231442 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H26O9 |
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| Molecular Mass | 362.1577 |
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| SMILES | CC1C(OC2CC(C(=O)O)C(O)C(O)C2O)OC(C(=O)O)C(C)C1C |
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| InChI Key | RYSFAGNLOAEDFF-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | alcoholcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxylic acid derivativeoxacyclebeta-hydroxy acidorganic oxideorganic oxygen compoundacetalaliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxaneorganooxygen compound |
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