| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:37 UTC |
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| Update Date | 2025-03-21 18:29:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075602 |
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| Frequency | 39.1 |
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| Structure | |
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| Chemical Formula | C15H18O5 |
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| Molecular Mass | 278.1154 |
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| SMILES | Cc1cc2c(cc1C(=O)O)CCC(C)(CCC(=O)O)O2 |
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| InChI Key | ICLFRKQCSGGJLK-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 | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersbenzenoidscarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acid1-benzopyranalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundorganooxygen compound |
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