| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:01 UTC |
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| Update Date | 2025-03-21 18:06:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062258 |
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| Frequency | 49.9 |
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| Structure | |
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| Chemical Formula | C28H30ClNO3 |
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| Molecular Mass | 463.1914 |
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| SMILES | COC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 |
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| InChI Key | NVAROXIKIBRSFM-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 derivativesaryl chloridesazacyclic compoundscarbonyl compoundschlorobenzenesfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylpiperidinestertiary alcoholstrialkylamines |
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| Substituents | fatty acyldiphenylmethanecarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundaryl chloridechlorobenzenealcoholazacycletertiary aliphatic aminearyl halidefatty acid estertertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundphenylpiperidinecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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