| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:27 UTC |
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| Update Date | 2025-03-25 00:46:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156806 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O9 |
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| Molecular Mass | 350.0638 |
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| SMILES | O=C(OC(Cc1cc(O)cc(O)c1)C(=O)O)c1c(O)cc(O)cc1O |
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| InChI Key | DWPQCYBFZMZZQK-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 | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphloroglucinols and derivativesresorcinolssalicylic acid and derivativesvinylogous acidso-hydroxybenzoic acid estersp-hydroxybenzoic acid alkyl esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate estercarboxylic acid derivativeresorcinolphloroglucinol derivativeorganic oxidebenzenetriolbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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