| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:15 UTC |
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| Update Date | 2025-03-21 18:03:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043942 |
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| Frequency | 77.1 |
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| Structure | |
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| Chemical Formula | C20H22O5 |
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| Molecular Mass | 342.1467 |
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| SMILES | COc1cc(CCC(=O)CC(=O)CCc2ccccc2O)ccc1O |
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| InChI Key | XHVLBXMLRLIJDN-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 | diarylheptanoids |
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| Subclass | linear diarylheptanoids |
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| Direct Parent | linear diarylheptanoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesgingerdioneshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethergingerdione1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolelinear 1,7-diphenylheptane skeletonphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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