| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:15 UTC |
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| Update Date | 2025-03-21 18:01:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034333 |
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| Frequency | 104.8 |
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| Structure | |
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| Chemical Formula | C21H28O6 |
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| Molecular Mass | 376.1886 |
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| SMILES | Cc1cc(CC2CCC(=O)O2)cc(OC2OC(C(=O)O)C(C)C(C)C2C)c1 |
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| InChI Key | NSQDOOKRSVLRDE-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 compoundstetrahydrofuranstoluenes |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativelactoneorganic oxideacetaloxanepyran carboxylic acid or derivativestetrahydrofurangamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundtolueneorganooxygen compound |
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