| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:44 UTC |
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| Update Date | 2025-03-21 18:39:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123996 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C27H30N2O3 |
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| Molecular Mass | 430.2256 |
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| SMILES | Nc1ccc(C(=O)OCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 |
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| InChI Key | DQLIOSPCBKHDOJ-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 | diphenylmethanes |
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| Direct Parent | diphenylmethanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesaromatic alcoholsazacyclic compoundsbenzoic acid estersbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinesprimary aminestertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholdiphenylmethanearomatic heteromonocyclic compoundamino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminebenzoic acid or derivativestertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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