| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:55 UTC |
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| Update Date | 2025-03-21 17:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010626 |
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| Frequency | 441.6 |
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| Structure | |
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| Chemical Formula | C7H12O7 |
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| Molecular Mass | 208.0583 |
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| SMILES | O=C1OC(CO)C(O)C(O)C(O)C1O |
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| InChI Key | XIXVSJHLAXUHFS-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 | lactones |
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| Direct Parent | lactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxepanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholcaprolactonecarbonyl groupcarboxylic acid derivativelactoneoxepaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound |
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