| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:23 UTC |
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| Update Date | 2025-03-25 00:54:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206671 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H19Cl2NO3 |
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| Molecular Mass | 379.0742 |
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| SMILES | O=C(O)C(O)CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21 |
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| InChI Key | LUWAESSFVXTZEP-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 | tetralins |
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| Subclass | tametralines |
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| Direct Parent | tametralines |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsaryl chloridesbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesorganopnictogen compoundssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganochloridealpha-hydroxy acidmonosaccharidecarboxylic acid derivativeorganohalogen compoundsaccharideorganic oxideorganonitrogen compoundorganopnictogen compound1,2-dichlorobenzenearyl chloridechlorobenzenealcoholsecondary aliphatic aminearomatic homopolycyclic compoundhydroxy acidsecondary aminebeta amino acid or derivativesaryl halidetametralinemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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