| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:22 UTC |
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| Update Date | 2025-03-21 18:30:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082290 |
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| Frequency | 35.1 |
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| Structure | |
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| Chemical Formula | C9H8O3 |
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| Molecular Mass | 164.0473 |
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| SMILES | CC(=O)c1ccc2c(c1)OCO2 |
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| InChI Key | BMHMKWXYXFBWMI-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 | acetalsacetophenonesaryl alkyl ketonesbenzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | aryl alkyl ketoneketoneoxacycleorganic oxideorganic oxygen compoundacetalaromatic heteropolycyclic compoundacetophenonehydrocarbon derivativebenzenoidorganooxygen compoundaryl ketonebenzodioxole |
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