| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:18 UTC |
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| Update Date | 2025-03-21 18:37:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113490 |
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| Frequency | 23.3 |
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| Structure | |
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| Chemical Formula | C13H10O5 |
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| Molecular Mass | 246.0528 |
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| SMILES | Oc1cc(-c2ccc3c(c2)OCO3)cc(O)c1O |
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| InChI Key | SSVPXNLEZCXQRB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativeshydrocarbon derivativesorganooxygen compoundsoxacyclic compoundspyrogallols and derivatives |
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| Substituents | monocyclic benzene moietypyrogallol derivativebenzenetriol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
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