| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:51 UTC |
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| Update Date | 2025-03-21 18:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033398 |
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| Frequency | 108.7 |
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| Structure | |
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| Chemical Formula | C18H12O6 |
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| Molecular Mass | 324.0634 |
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| SMILES | COc1cc2c(c3oc(=O)c4cc(O)ccc4c13)C1C=COC1O2 |
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| InChI Key | RLKTZVHITSQBAS-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 benzenoids2-benzopyransacetalsalkyl aryl ethersanisolescoumaransdihydrofuransheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | phenol etherether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherlactoneorganic oxideacetalaromatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundcoumarandihydrofuranbenzopyranheteroaromatic compoundisocoumarinangular furanocoumarinoxacycleorganic oxygen compoundpyrananisole2-benzopyranhydrocarbon derivativebenzenoidorganooxygen compound |
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