| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:43 UTC |
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| Update Date | 2025-03-25 00:52:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195967 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O8S |
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| Molecular Mass | 256.0253 |
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| SMILES | CC1(C)OC2COC(COS(=O)(=O)O)(O2)O1 |
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| InChI Key | DTPAGQQAJVUANY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | orthocarboxylic acid derivatives |
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| Subclass | carboxylic acid orthoesters |
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| Direct Parent | carboxylic acid orthoesters |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxolanesalkyl sulfateshydrocarbon derivativesketalsorganic oxidesortho estersoxacyclic compoundssulfuric acid monoesterstrioxanes |
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| Substituents | meta-dioxolanesulfuric acid monoesterorganic sulfuric acid or derivativesortho ester1,3,5-trioxanecarboxylic acid orthoesteraliphatic heteropolycyclic compoundoxacycleorganic oxideorganic oxygen compoundacetalketalalkyl sulfatesulfate-esterhydrocarbon derivativesulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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