| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:43 UTC |
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| Update Date | 2025-03-21 18:04:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052139 |
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| Frequency | 62.5 |
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| Structure | |
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| Chemical Formula | C19H26N2O7 |
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| Molecular Mass | 394.174 |
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| SMILES | Cc1cc2[nH]c(C3OC(CO)C(O)C(O)C3O)c(CC(N)C(=O)O)c2cc1C |
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| InChI Key | RFQPCKVWSZTUQI-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidindolemonosaccharidedialkyl ethersaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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