| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:37 UTC |
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| Update Date | 2025-03-25 00:50:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182200 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O7 |
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| Molecular Mass | 324.0958 |
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| SMILES | O=C(O)C1NC(Oc2cc3[nH]ccc3cc2O)C(O)C(O)C1O |
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| InChI Key | VHBDPPGZULBLFS-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 | 1-hydroxy-2-unsubstituted benzenoidsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol etherspiperidinecarboxylic acidspiperidinespyrrolessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidamino acidindole1-hydroxy-2-unsubstituted benzenoidbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidineorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativeshydroxy acidsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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