| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:49 UTC |
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| Update Date | 2025-03-25 00:50:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182652 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO2 |
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| Molecular Mass | 191.0946 |
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| SMILES | O=C=C(NCCCO)c1ccccc1 |
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| InChI Key | BZDDCUFAFWIMRG-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsynolates |
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| Substituents | alcoholsecondary aliphatic aminemonocyclic benzene moietysecondary aminearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundynolateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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