| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:53 UTC |
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| Update Date | 2025-03-21 18:37:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114921 |
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| Frequency | 22.9 |
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| Structure | |
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| Chemical Formula | C14H10O5+2 |
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| Molecular Mass | 258.0517 |
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| SMILES | Oc1ccc(-c2c[o+]c3cc(O)cc(O)c3[o+]2)cc1 |
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| InChI Key | XSPDRSGPLXATIW-UHFFFAOYSA-P |
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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 | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganooxygen compoundsoxacyclic compounds |
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| Substituents | monocyclic benzene moietyheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativeorganic cationorganoheterocyclic compoundorganooxygen compound |
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