| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:58 UTC |
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| Update Date | 2025-03-25 00:45:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151072 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H33NO4 |
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| Molecular Mass | 363.241 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)CCCN2CCC(C(C)(C)O)CC2)cc1 |
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| InChI Key | GJKPPFHCUDCARV-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganopnictogen compoundsphenylpropanoic acidspiperidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonoterpenoidcarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidp-cymenecarboxylic acid derivativeorganic oxidephenylbutylamine2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundaromatic monoterpenoid |
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