| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:17 UTC |
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| Update Date | 2025-03-25 00:49:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176887 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O9 |
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| Molecular Mass | 368.1107 |
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| SMILES | COc1cc(CC2CCC(=O)O2)cc(OC(CCC(=O)O)C(=O)O)c1O |
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| InChI Key | VHSFSCSORWJVBJ-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 | benzene and substituted derivatives |
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| Subclass | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmethoxyphenoltricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compoundtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundanisolecarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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