| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:21 UTC |
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| Update Date | 2025-03-21 17:57:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006948 |
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| Frequency | 736.4 |
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| Structure | |
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| Chemical Formula | C15H20O4 |
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| Molecular Mass | 264.1362 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CC(=O)O)O2 |
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| InChI Key | IETSMPQISKAPQX-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 | alkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acid1-benzopyranalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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