| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:35 UTC |
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| Update Date | 2025-03-21 18:28:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070734 |
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| Frequency | 42.5 |
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| Structure | |
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| Chemical Formula | C8H6O3 |
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| Molecular Mass | 150.0317 |
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| SMILES | O=C1OCc2cc(O)ccc21 |
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| InChI Key | QJEJYBQYGQJKSK-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 | isocoumarans |
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| Subclass | isobenzofuranones |
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| Direct Parent | phthalides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzenoidscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | 1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephthalidelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
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