| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:15 UTC |
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| Update Date | 2025-03-25 00:59:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238378 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11O7PS |
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| Molecular Mass | 281.9963 |
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| SMILES | O=C(O)Cc1scc(COP(=O)(O)O)c1CO |
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| InChI Key | MAILXLMMAHKXSZ-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 | organic phosphoric acids and derivatives |
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| Subclass | phosphate esters |
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| Direct Parent | monoalkyl phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthiophenes |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundthiophenecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundmonoalkyl phosphatehydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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