| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:48 UTC |
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| Update Date | 2025-03-25 00:51:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187199 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H34N2O3 |
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| Molecular Mass | 434.2569 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C3=NCc4ccccc43)CC2)cc1 |
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| InChI Key | HPEVFSIMDZHBDK-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 heteropolycyclic compounds |
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| Alternative Parents | amino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesisoindolesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanespiperidinespropargyl-type 1,3-dipolar organic compoundssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholketiminecarbonyl groupcarboxylic acidamino acid or derivativesamino acidiminecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundphenylpropaneorganic oxidephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycleisoindoletertiary aliphatic amineorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundisoindole or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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