| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:48 UTC |
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| Update Date | 2025-03-25 00:53:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198465 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O4 |
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| Molecular Mass | 220.0736 |
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| SMILES | CC1(c2ccccc2)CC(C(=O)O)OC1=O |
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| InChI Key | RMXQCDFGDMFQOU-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 | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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