| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:26 UTC |
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| Update Date | 2025-03-21 18:28:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070388 |
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| Frequency | 42.8 |
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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 | O=C(O)CC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 |
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| InChI Key | QRKHJNKUOVIXPF-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 acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylpiperidinesphenylpropanoic acidstertiary alcoholstrialkylamines |
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| Substituents | diphenylmethanecarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acid or derivativesamino acidorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundaryl chloridechlorobenzenealcoholazacycletertiary aliphatic aminearyl halidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundphenylpiperidinehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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