| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:34 UTC |
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| Update Date | 2025-03-25 00:50:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179777 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12ClNO2 |
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| Molecular Mass | 237.0557 |
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| SMILES | COc1ccc(NCc2ccco2)cc1Cl |
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| InChI Key | IHGFUEILUSESBQ-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chlorideschlorobenzenesfuransheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | furanmonocyclic benzene moietyetheraromatic heteromonocyclic compoundorganochloridealkyl aryl etherorganohalogen compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundaryl chloridechlorobenzeneheteroaromatic compoundsecondary aminemethoxybenzenesecondary aliphatic/aromatic aminearyl halideoxacycleorganic oxygen compoundanisolephenylalkylaminehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundamineorganooxygen compound |
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