| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:49 UTC |
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| Update Date | 2025-03-21 17:59:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021604 |
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| Frequency | 184.9 |
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| Structure | |
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| Chemical Formula | C11H10O5 |
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| Molecular Mass | 222.0528 |
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| SMILES | COc1cc(C=CC(=O)C(=O)O)ccc1O |
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| InChI Key | NWZBNFKHDKICDV-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-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsalkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolescarboxylic acidsenoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acidenonemethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compound |
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