| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:03 UTC |
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| Update Date | 2025-03-21 18:02:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038688 |
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| Frequency | 90.4 |
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| Structure | |
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| Chemical Formula | C12H8O4 |
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| Molecular Mass | 216.0423 |
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| SMILES | O=C1CCc2c1c1ccc(O)cc1oc2=O |
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| InChI Key | DOBZGPWODUNZNP-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-benzopyrans1-hydroxy-2-unsubstituted benzenoidsaryl alkyl ketonesbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | benzopyranaryl alkyl ketone1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidcoumarinketonelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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