| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:01 UTC |
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| Update Date | 2025-03-21 18:05:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055085 |
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| Frequency | 58.2 |
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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(c3c[nH]c4ccccc34)CC2)cc1 |
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| InChI Key | NJNDEQIWOBKZID-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 acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanespiperidinespyrrolessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidamino acid or derivativesamino acidindolecarboxylic acid derivativephenylpropaneorganic oxidephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundtertiary aliphatic amineindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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