| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:49 UTC |
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| Update Date | 2025-03-25 00:46:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157582 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O7 |
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| Molecular Mass | 346.1053 |
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| SMILES | O=C(O)CCc1c(O)c(CC(=O)O)c(CCC(=O)O)c2ccccc12 |
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| InChI Key | XQBIILJACSBKFX-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 | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic homopolycyclic compoundtricarboxylic acid or derivativescarboxylic acid derivativeorganic oxideorganic oxygen compoundhydrocarbon derivative2-naphtholorganooxygen compound |
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