| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:43 UTC |
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| Update Date | 2025-03-21 18:05:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056746 |
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| Frequency | 56.1 |
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| Structure | |
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| Chemical Formula | C14H12O4 |
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| Molecular Mass | 244.0736 |
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| SMILES | COc1cc(-c2ccc3c(c2)OCO3)ccc1O |
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| InChI Key | XXWVLKIVMPWHCQ-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 benzenoidsacetalsalkyl aryl ethersanisolesbenzodioxoleshydrocarbon derivativesmethoxybenzenesoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethermethoxybenzeneoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundanisolehydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compoundbenzodioxole |
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