| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:18 UTC |
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| Update Date | 2025-03-25 01:02:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254582 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20O4 |
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| Molecular Mass | 264.1362 |
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| SMILES | CC(C)C(O)c1ccc(C2CCC(C(=O)O)O2)cc1 |
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| InChI Key | FIMSKPLLUQADNS-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic alcoholalcoholcarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativedialkyl etherphenylpropaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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