| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:26 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181803 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O5 |
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| Molecular Mass | 172.0372 |
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| SMILES | O=C(O)C1C(O)C2COC(=O)C21 |
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| InChI Key | NUMUICUHFKFDDB-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxepanessecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl groupcarboxylic acidtetrahydrofuranhydroxy acidcarboxylic acid derivativegamma butyrolactonealiphatic heteropolycyclic compoundoxepaneoxacyclebeta-hydroxy acidorganic oxideorganic oxygen compoundcyclobutanolcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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