| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:02 UTC |
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| Update Date | 2025-03-25 00:48:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169370 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H29N3O9 |
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| Molecular Mass | 467.1904 |
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| SMILES | CC(=O)NC1C(O)C(O)C(c2[nH]c3ccccc3c2CC(N)C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | GHGAOEIUPREKLO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupethercarboxylic acidindolemonosaccharidedialkyl ethersaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholazacycleheteroaromatic compoundindole or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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