| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:25 UTC |
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| Update Date | 2025-03-25 00:56:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216139 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO8 |
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| Molecular Mass | 343.1267 |
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| SMILES | CCCC=CC=CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(=O)O |
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| InChI Key | RULAPQCKQDQNTJ-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxanealcoholpyran carboxylic acid or derivativesorganic 1,3-dipolar compoundhydroxy acidoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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