| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:23 UTC |
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| Update Date | 2025-03-25 00:50:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183892 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H6O4 |
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| Molecular Mass | 178.0266 |
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| SMILES | O=C1COC(=O)c2cc(O)ccc21 |
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| InChI Key | VSARBLBUKDYDDR-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 | benzopyrans |
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| Subclass | 2-benzopyrans |
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| Direct Parent | 2-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl alkyl ketonesbenzenoidscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | aryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid ester2-benzopyranhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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