| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:47 UTC |
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| Update Date | 2025-03-21 18:32:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092703 |
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| Frequency | 30.2 |
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| Structure | |
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| Chemical Formula | C19H27NO5 |
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| Molecular Mass | 349.1889 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)CCCN2CCC(C(=O)O)CC2)cc1 |
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| InChI Key | GXOIDGOQSCUVCE-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesorganopnictogen compoundsphenylpropanoic acidspiperidinecarboxylic acidspiperidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonoterpenoidcarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidp-cymenecarboxylic acid derivativeorganic oxidephenylbutylamine2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic amineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundaromatic monoterpenoid |
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