| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:16 UTC |
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| Update Date | 2025-03-25 00:46:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154141 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O7 |
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| Molecular Mass | 346.1053 |
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| SMILES | COc1cc(CC2c3cc(OC)c(O)cc3OC(=O)C2O)ccc1O |
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| InChI Key | QALURBQDOCONEW-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 | 3,4-dihydrocoumarins |
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| Subclass | 3,4-dihydrocoumarins |
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| Direct Parent | 3,4-dihydrocoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyran3,4-dihydrocoumarinmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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