| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:14 UTC |
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| Update Date | 2025-03-25 00:56:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220424 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO9 |
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| Molecular Mass | 371.1216 |
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| SMILES | COC1C(C(=O)O)OC(OC(=O)C(N)Cc2ccc(O)cc2)C(O)C1O |
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| InChI Key | CLJWBOGCTSHDPV-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsacetalsalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmonoalkylaminesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenylalanine and derivativespyran carboxylic acidssecondary alcoholstyrosine and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidepyran carboxylic aciddialkyl ether1-o-glucuronidesaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundamphetamine or derivatives1,2-diolalcoholpyran carboxylic acid or derivativestyrosine or derivativesoxacyclefatty acid esterphenylalanine or derivativesorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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