| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:21 UTC |
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| Update Date | 2025-03-25 00:53:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199767 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16ClNO2 |
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| Molecular Mass | 301.087 |
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| SMILES | Clc1ccc(C2OCC3C(c4cccnc4)OCC23)cc1 |
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| InChI Key | VDERVEZYIJGKMY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | furofurans |
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| Subclass | furofurans |
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| Direct Parent | furofurans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundschlorobenzenesdialkyl ethersheteroaromatic compoundshydrocarbon derivativesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyridines and derivativestetrahydrofurans |
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| Substituents | monocyclic benzene moietyetherorganochlorideorganohalogen compounddialkyl etheraromatic heteropolycyclic compoundfurofuranorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzeneazacycletetrahydrofuranheteroaromatic compoundaryl halideoxacyclepyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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