| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:05 UTC |
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| Update Date | 2025-03-21 18:33:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098285 |
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| Frequency | 28.0 |
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| Structure | |
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| Chemical Formula | C10H10O6 |
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| Molecular Mass | 226.0477 |
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| SMILES | O=C(O)CCc1ccc(O)c(O)c1C(=O)O |
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| InChI Key | GRPAIKHEWZVRJG-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-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessalicylic acidsvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivativessalicylic acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxideorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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