| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:54 UTC |
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| Update Date | 2025-03-25 00:47:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162195 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20O3 |
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| Molecular Mass | 248.1412 |
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| SMILES | O=C(O)CC1CCC(CCCc2ccccc2)O1 |
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| InChI Key | MRLFWNXXEGYLFG-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativedialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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