| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:00 UTC |
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| Update Date | 2025-03-25 00:54:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203518 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H24N2O8 |
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| Molecular Mass | 408.1533 |
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| SMILES | O=C(O)CCNC(=O)Cc1c(C2OC(CO)C(O)C(O)C2O)[nH]c2ccccc12 |
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| InChI Key | NITDJRWNFFDFHA-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupethercarboxylic acidindolemonosaccharidedialkyl ethersaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativescarboxamide groupbeta amino acid or derivativesoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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