| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:50 UTC |
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| Update Date | 2025-03-21 17:59:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021672 |
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| Frequency | 184.2 |
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| Structure | |
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| Chemical Formula | C9H8O4 |
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| Molecular Mass | 180.0423 |
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| SMILES | O=C1CCc2c(O)cc(O)cc2O1 |
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| InChI Key | GBJZXVVSCXXEQK-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 | 3,4-dihydrocoumarins |
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| Subclass | 3,4-dihydrocoumarins |
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| Direct Parent | 3,4-dihydrocoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupbenzopyran1-benzopyran3,4-dihydrocoumarin1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterchromanehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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