| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:35 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207120 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16Cl3NO7 |
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| Molecular Mass | 462.9992 |
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| SMILES | O=C(O)C1NC(Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)C(O)C(O)C1O |
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| InChI Key | XFRLVTCSZBHWOD-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaryl chloridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdiarylethersdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenol ethersphenoxy compoundspiperidinecarboxylic acidspiperidinessecondary alcohols |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganochloridealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzenebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidineorganoheterocyclic compoundaryl chloridechlorobenzenealcoholsecondary aliphatic amineazacyclehydroxy acidsecondary aminearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compoundamine |
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