| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:41 UTC |
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| Update Date | 2025-03-25 00:56:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219121 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12O5 |
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| Molecular Mass | 284.0685 |
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| SMILES | COc1ccc2c(c1)c(=O)oc1c(OC(C)=O)cccc12 |
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| InChI Key | NJYXYLXLISCBEL-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 | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans2-benzopyransalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | phenol ethercarbonyl groupether1-benzopyranalkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzopyranheteroaromatic compoundisocoumarincoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolecarboxylic acid ester2-benzopyranhydrocarbon derivativebenzenoidorganooxygen compound |
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