| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:28 UTC |
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| Update Date | 2025-03-25 00:46:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154593 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20O7 |
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| Molecular Mass | 384.1209 |
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| SMILES | COc1ccc(C2C3COC(c4ccc5c(c4)OCO5)C3C2C(=O)O)cc1O |
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| InChI Key | QBUHPZYNABFLFN-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzodioxolescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxepanesphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativedialkyl etherorganic oxideacetalaromatic heteropolycyclic compoundorganoheterocyclic compoundbenzodioxoletetrahydrofuran1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxepaneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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