| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:33 UTC |
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| Update Date | 2025-03-21 18:06:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063442 |
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| Frequency | 48.7 |
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| Structure | |
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| Chemical Formula | C13H8O4 |
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| Molecular Mass | 228.0423 |
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| SMILES | O=c1ccc2ccc3c(c2o1)C1C=COC1O3 |
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| InChI Key | KYLCJKVKEIJXNT-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-benzopyransacetalsbenzenoidscoumaransdihydrofuransheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | benzopyran1-benzopyranheteroaromatic compoundangular furanocoumarinlactoneoxacycleorganic oxideorganic oxygen compoundacetalaromatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundcoumaranorganooxygen compounddihydrofuran |
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