| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:03 UTC |
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| Update Date | 2025-03-21 17:58:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017671 |
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| Frequency | 237.5 |
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| Structure | |
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| Chemical Formula | C21H28O8 |
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| Molecular Mass | 408.1784 |
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| SMILES | COc1cc(CC2CCC(=O)O2)cc(OC2OC(C(=O)O)C(C)C(C)C2C)c1O |
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| InChI Key | QLTRIBZYANQWGX-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 | acetalsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmethoxyphenolalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidlactoneorganic oxideacetaloxaneorganoheterocyclic compoundpyran carboxylic acid or derivativestetrahydrofuranmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundpyrananisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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