| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:53 UTC |
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| Update Date | 2025-03-25 00:53:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198661 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H16O6 |
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| Molecular Mass | 340.0947 |
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| SMILES | COc1ccc(C=CC(=O)COC(=O)c2ccccc2C(=O)O)cc1 |
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| InChI Key | GONFCQWQUASUDP-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 | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacryloyl compoundsalkyl aryl ethersanisolesbenzoic acid estersbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativesenoneshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidbenzoylbenzoate esteralkyl aryl etheralpha,beta-unsaturated ketonecarboxylic acid derivativeketonecinnamic acid or derivativesorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidenonebenzoic acid or derivativesmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compound |
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