| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:56 UTC |
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| Update Date | 2025-03-21 18:37:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115059 |
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| Frequency | 22.9 |
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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 | COc1ccc2c(c1)COC2=O |
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| InChI Key | KLMRELXLQGRFDO-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 | alkyl aryl ethersanisolescarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | phenol etheretheralkyl aryl ethercarboxylic acid derivativephthalidelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundanisolecarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
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