| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:35 UTC |
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| Update Date | 2025-03-25 00:57:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225693 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23NO3 |
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| Molecular Mass | 265.1678 |
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| SMILES | CC(C)(C)c1cc(C[N+](=O)[O-])cc(C(C)(C)C)c1O |
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| InChI Key | PLTLAUHDWKOIJL-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | c-nitro compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenolspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | allyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundphenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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