| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:58 UTC |
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| Update Date | 2025-03-25 00:55:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215135 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H24O7 |
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| Molecular Mass | 364.1522 |
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| SMILES | CC1CC(C)(O)C(Oc2ccc(CC3CCC(=O)O3)cc2)OC1C(=O)O |
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| InChI Key | DPQIMZUTUOYNEI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundstertiary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativelactoneorganic oxideacetaloxanealcoholpyran carboxylic acid or derivativestetrahydrofurangamma butyrolactoneoxacycletertiary alcoholorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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