| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:52 UTC |
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| Update Date | 2025-03-21 18:31:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088103 |
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| Frequency | 32.2 |
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| Structure | |
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| Chemical Formula | C12H8O5 |
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| Molecular Mass | 232.0372 |
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| SMILES | O=C1CCc2c1c(=O)oc1c(O)c(O)ccc21 |
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| InChI Key | PXBNSIXYPCRQDZ-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 | 7,8-dihydroxycoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzenoidscoumarins and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | benzopyranaryl alkyl ketone1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid7,8-dihydroxycoumarinketonelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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