| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:17 UTC |
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| Update Date | 2025-03-21 18:35:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106141 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C13H10O5 |
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| Molecular Mass | 246.0528 |
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| SMILES | O=C(O)CCC1=C(O)C(=O)c2ccccc2C1=O |
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| InChI Key | VIOFDOQCCDMFCQ-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 | naphthoquinones |
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| Direct Parent | naphthoquinones |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesquinonesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidaromatic homopolycyclic compoundcarboxylic acid derivativeketonevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativenaphthoquinoneorganooxygen compoundaryl ketonequinone |
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