| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:41 UTC |
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| Update Date | 2025-03-25 00:54:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209761 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O5 |
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| Molecular Mass | 248.0685 |
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| SMILES | CC(Cc1cc(=O)oc2cc(O)ccc12)C(=O)O |
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| InChI Key | SRMJFRRJBGNLKT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | coumarins and derivatives |
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| Subclass | hydroxycoumarins |
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| Direct Parent | 7-hydroxycoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsbenzenoidscarbonyl compoundscarboxylic acidscoumarins and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | carbonyl groupbenzopyrancarboxylic acid7-hydroxycoumarin1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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