| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:49 UTC |
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| Update Date | 2025-03-25 00:53:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198537 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O5 |
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| Molecular Mass | 316.1311 |
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| SMILES | Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(CCC(=O)O)CC3 |
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| InChI Key | BCNIMAGPDNRZLJ-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 | pyranocoumarins |
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| Direct Parent | linear pyranocoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspyranochromenespyranones and derivatives |
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| Substituents | carbonyl groupethercarboxylic acid1-benzopyranalkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundpyranonechromaneorganoheterocyclic compoundbenzopyranpyranochromeneheteroaromatic compoundoxacyclemonocarboxylic acid or derivativeslinear pyranocoumarinorganic oxygen compoundpyranhydrocarbon derivativebenzenoidorganooxygen compound |
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