Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:07 UTC |
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Update Date | 2025-03-21 18:35:27 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105731 |
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Frequency | 25.5 |
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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 | O=C(O)c1cc(CCO)ccc1O |
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InChI Key | DACOAHPHKXNEOJ-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 | salicylic acids |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsalcohols and polyolsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestyrosolsvinylogous acids |
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Substituents | alcoholcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidtyrosolsalicylic acidcarboxylic acid derivativearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativetyrosol derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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