| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:07 UTC |
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| Update Date | 2025-03-21 18:35:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108219 |
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| Frequency | 24.8 |
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| Structure | |
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| Chemical Formula | C16H10O6 |
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| Molecular Mass | 298.0477 |
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| SMILES | O=C1CCc2c1c(=O)oc1c3c(c(O)cc21)OC1OC=CC31 |
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| InChI Key | OODRVQBFNLJBNI-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 | furanocoumarins |
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| Direct Parent | angular furanocoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsacetalsaryl alkyl ketonesbenzenoidscoumaransdihydrofuransheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | aryl alkyl ketone1-benzopyran1-hydroxy-2-unsubstituted benzenoidketonelactoneorganic oxideacetalaromatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundcoumarandihydrofuranbenzopyranheteroaromatic compoundangular furanocoumarinoxacycleorganic oxygen compoundpyranhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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