| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:03 UTC |
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| Update Date | 2025-03-21 17:57:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006227 |
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| Frequency | 833.7 |
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| Structure | |
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| Chemical Formula | C27H28ClNO3 |
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| Molecular Mass | 449.1758 |
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| SMILES | O=C(O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 |
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| InChI Key | RQAOZORDGPLHFC-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 acidsamino fatty acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzenesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylpiperidinestertiary alcoholstrialkylamines |
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| Substituents | fatty acyldiphenylmethanecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidpiperidinetertiary amineorganoheterocyclic compoundaryl chloridechlorobenzenealcoholazacycletertiary aliphatic amineamino fatty acidaryl halidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundphenylpiperidinehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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