| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:24 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163356 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H26N2O5 |
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| Molecular Mass | 338.1842 |
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| SMILES | O=C(O)C(Cc1ccc(O)cc1)N1CCN(CCOCCO)CC1 |
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| InChI Key | CUHUSAIMSMGECD-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalcohols and polyolsalpha amino acidsamino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpiperazinesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acid1-hydroxy-2-unsubstituted benzenoiddialkyl etherorganic oxidepiperazinealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundamphetamine or derivativesalcoholtyrosine or derivativesazacyclen-alkylpiperazinetertiary aliphatic aminemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compound1,4-diazinanephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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