| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:05 UTC |
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| Update Date | 2025-03-25 00:59:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235826 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H24O12 |
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| Molecular Mass | 444.1268 |
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| SMILES | COc1cc(CC2OC(=O)CC2O)cc(OC2C(O)C(O)C(O)C(O)C2C(=O)O)c1O |
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| InChI Key | XBTLOWRZSXLXMF-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonebeta-hydroxy acidsaccharideorganic oxideorganoheterocyclic compoundalcoholtetrahydrofurancyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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