| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:19 UTC |
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| Update Date | 2025-03-25 00:50:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183772 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H12O5 |
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| Molecular Mass | 272.0685 |
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| SMILES | O=C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)O1 |
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| InChI Key | RDJBYDYFIBXNPW-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 heteropolycyclic compounds |
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| Alternative Parents | aryl ketonescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsquinonestetrahydrofuransvinylogous acids |
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| Substituents | carbonyl grouptetrahydrofurancarboxylic acid derivativegamma butyrolactoneketonelactoneoxacyclevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterhydrocarbon derivativenaphthoquinoneorganoheterocyclic compoundorganooxygen compoundaryl ketonequinone |
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