| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:30 UTC |
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| Update Date | 2025-03-21 18:05:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058588 |
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| Frequency | 53.9 |
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| Structure | |
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| Chemical Formula | C12H14O3 |
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| Molecular Mass | 206.0943 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(=O)O2 |
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| InChI Key | IWIXYZQOIASOQM-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-benzopyransbenzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupbenzopyran1-benzopyran3,4-dihydrocoumarincarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterchromanehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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