| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:37 UTC |
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| Update Date | 2025-03-21 18:41:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135433 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C18H22O5 |
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| Molecular Mass | 318.1467 |
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| SMILES | COc1cc(CC(CO)C(O)Cc2ccc(O)cc2)ccc1O |
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| InChI Key | HGDUTRGKZXNVTB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lignans, neolignans and related compounds |
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| Class | Not Available |
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| Subclass | lignans, neolignans and related compounds |
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| Direct Parent | lignans, neolignans and related compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolnorlignan skeletonalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundprimary alcoholorganooxygen compound |
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