| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:22 UTC |
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| Update Date | 2025-03-25 00:46:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154376 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H19NO7 |
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| Molecular Mass | 385.1162 |
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| SMILES | COc1cc(C=CC(=O)OC(CC(=O)c2ccccc2N)C(=O)O)ccc1O |
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| InChI Key | OQYJQUIWTWSGBK-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 benzenoidsalkyl aryl ethersamino acidsanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estersgamma-keto acids and derivativeshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsorganic oxidesorganopnictogen compoundsphenoxy compoundsprimary aminesvinylogous amides |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativehydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundenoate estervinylogous amidemethoxybenzenehydroxycinnamic acidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundfatty acid esteranisoleketo acidcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
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