| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:52 UTC |
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| Update Date | 2025-03-25 01:02:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253621 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H19NO8 |
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| Molecular Mass | 377.1111 |
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| SMILES | O=C(CNc1cccc2ccccc12)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | OJFRGSFVTLKKMS-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 acyl ester of carbohydrates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsamino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesnaphthaleneso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesamino acido-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidsecondary aminesecondary aliphatic/aromatic amineoxacyclenaphthaleneorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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