| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:02 UTC |
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| Update Date | 2025-03-21 18:34:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103077 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C31H38N2O4 |
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| Molecular Mass | 502.2832 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccn3)CC2)cc1 |
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| InChI Key | WHEDKQNCNZXDGR-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 | 2-halopyridinesamino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanespiperidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativephenylpropaneorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compound2-halopyridinepiperidinetertiary amineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridinetertiary alcoholmonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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