Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:16 UTC |
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Update Date | 2025-03-21 18:35:03 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00103659 |
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Frequency | 26.2 |
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Structure | |
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Chemical Formula | C9H10O4 |
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Molecular Mass | 182.0579 |
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SMILES | Cc1ccc(C(=O)O)c(CO)c1O |
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InChI Key | IFQJVBFCOHGYFW-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 | benzoic acids and derivatives |
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Direct Parent | hydroxybenzoic acid derivatives |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzoic acidsbenzoyl derivativesbenzyl alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesortho cresolstoluenes |
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Substituents | aromatic alcoholalcoholcarboxylic acidbenzoylbenzyl alcohol1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-cresolphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidtolueneorganooxygen compound |
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