| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:13 UTC |
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| Update Date | 2025-03-21 18:39:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125146 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C16H12O6 |
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| Molecular Mass | 300.0634 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)Oc1ccccc1C(=O)O |
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| InChI Key | KDYVBBNDLDGXOZ-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 homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacylsalicylic acidsbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidesphenol estersphenoxy compounds |
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| Substituents | acylsalicylic acidfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidenoate esterbenzoic acid or derivativesacylsalicylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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