| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:46 UTC |
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| Update Date | 2025-03-25 00:55:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209942 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O4 |
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| Molecular Mass | 286.1205 |
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| SMILES | CC(O)CCC(=O)COC(=O)c1cccc2ccccc12 |
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| InChI Key | LZSTUPWWTCYPEZ-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 | naphthalenecarboxylic acids and derivatives |
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| Direct Parent | naphthalenecarboxylic acids |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | carboxylic acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholcarbonyl grouparomatic homopolycyclic compound1-naphthalenecarboxylic acidcarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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