| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:58 UTC |
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| Update Date | 2025-03-21 18:30:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083682 |
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| Frequency | 34.4 |
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| Structure | |
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| Chemical Formula | C9H12O5 |
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| Molecular Mass | 200.0685 |
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| SMILES | Cc1c(C(O)CO)cc(O)c(O)c1O |
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| InChI Key | GNGOUAWVTDQXIP-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 | phenols |
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| Subclass | benzenetriols and derivatives |
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| Direct Parent | pyrogallols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholshydrocarbon derivativesmeta cresolsortho cresolspara cresolsprimary alcoholssecondary alcoholstoluenes |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietypyrogallol derivativem-cresol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundp-cresolo-cresolsecondary alcoholhydrocarbon derivativeprimary alcoholtolueneorganooxygen compound1,2-diol |
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