| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:09 UTC |
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| Update Date | 2025-03-25 00:50:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183396 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20ClNO3 |
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| Molecular Mass | 369.1132 |
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| SMILES | O=C(O)N1CCC(=C2c3ccc(Cl)cc3CC(O)c3ccccc32)CC1 |
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| InChI Key | FEABEACYECOLSO-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 | dibenzocycloheptenes |
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| Subclass | dibenzocycloheptenes |
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| Direct Parent | dibenzocycloheptenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundscarbamic acidscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidinessecondary alcohols |
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| Substituents | aryl chloridealcoholcarbonyl groupcarbonic acid derivativeazacyclecarbamic acidorganochlorideorganohalogen compounddibenzocycloheptenearyl halideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativepiperidinecarboxylic acidorganic nitrogen compoundpiperidineorganoheterocyclic compoundorganooxygen compound |
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