| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:18 UTC |
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| Update Date | 2025-03-25 00:48:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165443 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H31NO5 |
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| Molecular Mass | 377.2202 |
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| SMILES | CCC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(=O)O)CC2)cc1 |
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| InChI Key | ZRSYXAAVGPHGHV-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 alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanespiperidinecarboxylic acidspiperidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativephenylpropaneorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic amineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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