| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:21 UTC |
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| Update Date | 2025-03-25 00:57:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225203 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H34N2O5 |
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| Molecular Mass | 394.2468 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)CCCN2CCN(CCOCCO)CC2)cc1 |
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| InChI Key | XOONRVUQQZMSON-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 | amino acidsaromatic alcoholsaromatic monoterpenoidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsn-alkylpiperazinesorganic oxidesorganopnictogen compoundsphenylpropanoic acidssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonoterpenoidcarbonyl groupmonocyclic monoterpenoidethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidp-cymenecarboxylic acid derivativedialkyl etherorganic oxidephenylbutylamine2-phenylpropanoic-acidpiperazineorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundalcoholazacyclen-alkylpiperazinetertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compound1,4-diazinanesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundaromatic monoterpenoid |
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