| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:20 UTC |
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| Update Date | 2025-03-25 00:46:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156538 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O5 |
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| Molecular Mass | 212.0685 |
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| SMILES | Cc1c(C(=O)O)cc(CO)c(CO)c1O |
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| InChI Key | NUMPKZNCZWGWMG-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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