| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:05 UTC |
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| Update Date | 2025-03-25 00:56:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220062 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O3 |
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| Molecular Mass | 220.1099 |
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| SMILES | Cc1cc(C(=O)O)cc2c1CCC(C)(C)O2 |
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| InChI Key | CSKXDZLUAQBUCR-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 | 2,2-dimethyl-1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzenoidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | ethercarboxylic acid2,2-dimethyl-1-benzopyranalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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