| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:34:12 UTC |
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| Update Date | 2025-03-21 17:56:31 UTC |
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| HMDB ID | HMDB0001518 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001913 |
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| Name | alpha-CEHC |
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| Frequency | 3175.0 |
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| Structure | |
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| Chemical Formula | C16H22O4 |
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| Molecular Mass | 278.1518 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCC(=O)O)O2 |
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| InChI Key | AXODOWFEFKOVSH-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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