| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:20 UTC |
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| Update Date | 2025-03-21 18:00:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027421 |
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| Frequency | 138.4 |
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| Structure | |
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| Chemical Formula | C16H10O5 |
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| Molecular Mass | 282.0528 |
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| SMILES | O=C1CCc2c1c(=O)oc1c3c(ccc21)OC1OC=CC31 |
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| InChI Key | CLUMWPOXBTUBJS-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-benzopyransacetalsaryl alkyl ketonesbenzenoidscoumaransdihydrofuransheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | benzopyranaryl alkyl ketone1-benzopyranheteroaromatic compoundketoneangular furanocoumarinlactoneoxacycleorganic oxideorganic oxygen compoundacetalaromatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundcoumaranorganooxygen compoundaryl ketonedihydrofuran |
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