| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:36 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202590 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O2 |
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| Molecular Mass | 202.0994 |
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| SMILES | O=C(OCc1ccccc1)C1=CCCC1 |
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| InChI Key | FKTLGHDNXFRODS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundsenoate estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | benzyloxycarbonylenoate estercarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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