| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:41 UTC |
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| Update Date | 2025-03-21 18:32:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092449 |
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| Frequency | 30.3 |
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| Structure | |
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| Chemical Formula | C11H8O7 |
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| Molecular Mass | 252.027 |
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| SMILES | O=c1c(O)coc(-c2cc(O)c(O)c(O)c2)c1O |
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| InChI Key | YSCPPMUJXRZUHA-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | monocyclic benzene moietypyrogallol derivativearomatic heteromonocyclic compoundheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidcyclic ketone1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxideorganic oxygen compoundpyranpyranonehydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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