| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:58 UTC |
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| Update Date | 2025-03-21 18:28:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071633 |
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| Frequency | 41.9 |
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| Structure | |
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| Chemical Formula | C19H26O4 |
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| Molecular Mass | 318.1831 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(CCCC(C)(O)C(=O)O)=C2 |
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| InChI Key | XIMPXHBQBBOPJU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholfatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidmethyl-branched fatty acidalpha-hydroxy acidaromatic homopolycyclic compoundhydroxy acidcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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