| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:52 UTC |
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| Update Date | 2025-03-25 00:59:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237540 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O5 |
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| Molecular Mass | 278.1154 |
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| SMILES | O=C1CCC(Cc2ccc(CC(CO)C(=O)O)cc2)O1 |
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| InChI Key | ZZBXTAYVYKEWEO-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 | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsprimary alcoholstetrahydrofurans |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidtetrahydrofuranhydroxy acidcarboxylic acid derivativegamma butyrolactonelactoneoxacyclebeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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