| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:27 UTC |
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| Update Date | 2025-03-21 18:36:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109013 |
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| Frequency | 24.6 |
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| Structure | |
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| Chemical Formula | C21H26O9 |
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| Molecular Mass | 422.1577 |
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| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1OC(C(=O)O)C(C(=O)O)C(C)C1C |
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| InChI Key | ZHZFVKRXWJFIRN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideacetaloxanepyran carboxylic acid or derivativestetrahydrofuranmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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