| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:26 UTC |
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| Update Date | 2025-03-21 18:05:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058433 |
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| Frequency | 54.1 |
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| Structure | |
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| Chemical Formula | C7H12O7P2S |
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| Molecular Mass | 301.9779 |
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| SMILES | Cc1ccsc1CCOP(=O)(O)OP(=O)(O)O |
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| InChI Key | MCRGIOUKJQZEMM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | heteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesorganic oxidesorganooxygen compoundsthiophenes |
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| Substituents | aromatic heteromonocyclic compoundheteroaromatic compoundthiopheneorganic pyrophosphateorganic oxidephosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic phosphoric acid derivativealkyl phosphateorganoheterocyclic compoundorganooxygen compound |
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