| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:00 UTC |
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| Update Date | 2025-03-21 17:59:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024289 |
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| Frequency | 160.8 |
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| Structure | |
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| Chemical Formula | C12H18N2O4 |
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| Molecular Mass | 254.1267 |
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| SMILES | COc1cc(C(O)CCCN(C)N=O)ccc1O |
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| InChI Key | LDRLTHCVYBKZID-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic n-nitroso compoundsorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholphenol etherether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic n-nitroso compoundorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundalcoholorganic nitroso compoundmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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