| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:34 UTC |
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| Update Date | 2025-03-21 18:04:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051781 |
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| Frequency | 63.0 |
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| Structure | |
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| Chemical Formula | C16H20O4 |
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| Molecular Mass | 276.1362 |
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| SMILES | CC(=O)c1cc2c(cc1C)OC(C)(CCC(=O)O)CC2 |
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| InChI Key | WRRQCAXLUCVLFX-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 | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetophenonesalkyl aryl ethersaryl alkyl ketonesbenzenoidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acidaryl alkyl ketone1-benzopyranalkyl aryl ethercarboxylic acid derivativeketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundacetophenonehydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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