| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:29 UTC |
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| Update Date | 2025-03-25 00:47:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161259 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO7 |
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| Molecular Mass | 287.1005 |
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| SMILES | NC(Cc1ccc(C2OC(CO)C(O)C2O)o1)C(=O)O |
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| InChI Key | IRMPWGMJBNCHEK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | furanoid fatty acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkyl ethersfatty acylsfuransheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | furancarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmonosaccharidealpha-amino acid or derivativescarboxylic acid derivativedialkyl ethersaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcoholorganoheterocyclic compoundfuranoid fatty acidalcoholtetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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