| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:30 UTC |
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| Update Date | 2025-03-25 01:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252814 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28N2O7 |
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| Molecular Mass | 408.1897 |
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| SMILES | NC(CCCCc1c(C2OC(CO)C(O)C(O)C2O)[nH]c2ccccc12)C(=O)O |
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| InChI Key | KXOJEJLGVBRHKM-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 | amino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsindolesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidheterocyclic fatty acidindolemonosaccharidefatty acidmedium-chain hydroxy aciddialkyl ethersaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativesamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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