| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:57 UTC |
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| Update Date | 2025-03-25 00:53:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201168 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H21NO5 |
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| Molecular Mass | 367.142 |
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| SMILES | COc1cc(C=CC(=O)CC(=O)CCC(=O)c2ccccc2N)ccc1O |
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| InChI Key | OSATUADAGJLSGA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonesenoneshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsorganic oxidesorganopnictogen compoundsphenoxy compoundsprimary aminesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonehydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundenonevinylogous amidemethoxybenzenehydroxycinnamic acidbutyrophenonearomatic homomonocyclic compoundanisolephenolhydrocarbon derivativebenzenoidacryloyl-groupprimary amineorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
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