| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:02 UTC |
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| Update Date | 2025-03-25 00:59:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235716 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H15NO5S |
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| Molecular Mass | 357.0671 |
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| SMILES | COc1cc(C=CC(=O)OC2Sc3ccccc3NC2=O)ccc1O |
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| InChI Key | WRTCDLVRANLQOV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-thiazines1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl thioethersazacyclic compoundsbenzothiazinescarbonyl compoundsenoate estersfatty acid estershydrocarbon derivativeslactamsmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherlactam1-hydroxy-2-unsubstituted benzenoidmethoxyphenolbenzothiazinealkyl aryl ethercarboxylic acid derivativearyl thioetheralpha,beta-unsaturated carboxylic esterorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundenoate esterpara-thiazineazacyclecarboxamide groupmethoxybenzenehydroxycinnamic acidsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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