| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:44 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200663 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H30N2O5S |
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| Molecular Mass | 518.1875 |
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| SMILES | COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)C=Cc2ccc(O)cc2)cc1 |
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| InChI Key | XPBULPUFGDLLNM-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-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalkylarylthioethersamino acids and derivativesanisolesazacyclic compoundsbenzothiazepinescarbonyl compoundsenoate estersfatty acid estershydrocarbon derivativeslactamsmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherlactamamino acid or derivatives1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetheralpha,beta-unsaturated carboxylic esterorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepinetertiary amineorganoheterocyclic compoundenoate esterazacycletertiary aliphatic aminecarboxamide groupmethoxybenzenehydroxycinnamic acidfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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