Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:40:32 UTC |
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Update Date | 2025-03-21 17:58:45 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00016536 |
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Frequency | 258.1 |
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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=C1CCc2c1c(=O)oc1cc(O)ccc21 |
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InChI Key | FFZZBHQJYAFZAT-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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