| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:37 UTC |
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| Update Date | 2025-03-25 01:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250818 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9ClO5 |
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| Molecular Mass | 256.0139 |
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| SMILES | O=C(O)CC1(C(=O)O)OCc2cc(Cl)ccc21 |
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| InChI Key | VNVPMNKKJHGXGT-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 | isocoumarans |
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| Subclass | isocoumarans |
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| Direct Parent | isocoumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesbenzenoidscarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochloridesoxacyclic compounds |
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| Substituents | aryl chloridecarbonyl groupethercarboxylic acidorganochloridecarboxylic acid derivativeorganohalogen compounddialkyl etheraryl halideoxacycleorganic oxideisocoumaranorganic oxygen compoundaromatic heteropolycyclic compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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