| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:20 UTC |
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| Update Date | 2025-03-25 00:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220663 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO6PS+ |
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| Molecular Mass | 394.0509 |
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| SMILES | O=C(O)c1c(CCOP(=O)(O)O)sc[n+]1Cc1cccc2ccccc12 |
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| InChI Key | QINXJBSZCXYMMX-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsthiazolecarboxylic acids and derivatives |
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| Substituents | carboxylic acidcarboxylic acid derivativethiazolecarboxylic acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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