| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:58 UTC |
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| Update Date | 2025-03-25 00:59:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237770 |
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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=C1CC(O)Oc2c1c(=O)oc1cc(O)ccc21 |
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| InChI Key | NJJMFCMUFAOKCE-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 | coumarino-gamma-pyrones |
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| Direct Parent | coumarino-gamma-pyrones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsangular pyranocoumarinsaryl alkyl ketonesbenzenoidshemiacetalsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativesvinylogous esters |
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| Substituents | aryl alkyl ketone1-benzopyran1-hydroxy-2-unsubstituted benzenoidcoumarino-gamma-pyroneangular pyranocoumarinketonelactoneorganic oxidearomatic heteropolycyclic compoundpyranonehemiacetalorganoheterocyclic compoundpyranocoumarinbenzopyranvinylogous esterheteroaromatic compoundoxacycleorganic oxygen compoundpyranhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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