| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:28 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181880 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H25NO8 |
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| Molecular Mass | 371.158 |
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| SMILES | O=C(O)C(CCCc1ccccc1)N(O)C1OC(CO)C(O)C(O)C1O |
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| InChI Key | LYNCOZJWFQMKJM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino fatty acidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesn-organohydroxylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidmonosaccharidefatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidsaccharideorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholamino fatty acidn-organohydroxylamineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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