| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:07 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181099 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H8O6 |
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| Molecular Mass | 248.0321 |
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| SMILES | O=C(O)CC(=O)Oc1ccc2oc(=O)ccc2c1 |
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| InChI Key | ZRMFSOPVKGTPTR-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 | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | carbonyl groupbenzopyrancarboxylic acid1-benzopyranheteroaromatic compoundcarboxylic acid derivativecoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrancarboxylic acid esterpyranonedicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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