| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:43 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202856 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H12O6 |
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| Molecular Mass | 312.0634 |
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| SMILES | O=C1CCc2c1c(=O)oc1c3c(cc(O)c21)OC1OC=CC1C3 |
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| InChI Key | NXFQAEZLRMZFRG-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 | pyranocoumarins |
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| Direct Parent | angular pyranocoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsaryl alkyl ketonesbenzenoidsdihydrofuransfuransfuropyransheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranochromenespyranones and derivatives |
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| Substituents | furanaryl alkyl ketone1-benzopyran1-hydroxy-2-unsubstituted benzenoidangular pyranocoumarinketonelactoneorganic oxideacetalaromatic heteropolycyclic compoundpyranonechromaneorganoheterocyclic compounddihydrofuranbenzopyranpyranochromeneheteroaromatic compoundfuropyranoxacycleorganic oxygen compoundpyranhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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