| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:59 UTC |
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| Update Date | 2025-03-21 18:05:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055000 |
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| Frequency | 58.3 |
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| Structure | |
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| Chemical Formula | C9H8O5 |
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| Molecular Mass | 196.0372 |
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| SMILES | O=C(O)Cc1cccc(C(=O)O)c1O |
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| InChI Key | BOKNBNVIPHKMDH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylacetic acids |
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| Direct Parent | 2(hydroxyphenyl)acetic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessalicylic acidsvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidbenzoylbenzoic acid or derivativessalicylic acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxideorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound2(hydroxyphenyl)acetic acid |
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