| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:33 UTC |
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| Update Date | 2025-03-25 00:46:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157015 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H8O5 |
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| Molecular Mass | 232.0372 |
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| SMILES | O=C1OCc2c1c(O)cc1c2C2C=COC2O1 |
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| InChI Key | MWTJSBSHXAQRGN-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 benzenoidsacetalsbenzenoidscarboxylic acid esterscoumaransdihydrofuranshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsvinylogous acids |
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| Substituents | 1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephthalidelactoneoxacyclevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalaromatic heteropolycyclic compoundcarboxylic acid esterhydrocarbon derivativebenzenoidcoumaranorganooxygen compounddihydrofuran |
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