| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:08 UTC |
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| Update Date | 2025-03-25 00:47:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162731 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O4 |
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| Molecular Mass | 300.1362 |
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| SMILES | O=C(CCc1ccccc1)c1ccccc1OCC(O)CO |
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| InChI Key | KRSTZDUMPGTWJG-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 | linear 1,3-diarylpropanoids |
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| Subclass | linear 1,3-diarylpropanoids |
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| Direct Parent | linear 1,3-diarylpropanoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | alcohollinear 1,3-diarylpropanoidphenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylalkyl aryl etherphenylketoneketonebutyrophenonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundprimary alcoholalkyl-phenylketoneorganooxygen compoundaryl ketone1,2-diol |
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