| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:42 UTC |
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| Update Date | 2025-03-21 18:39:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126342 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C15H27N2O26P5 |
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| Molecular Mass | 805.954 |
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| SMILES | O=c1ccn(C2OC(COC3C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C3OP(=O)(O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | SPTIJSZEFMRKCF-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 | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | inositol phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidine nucleosidespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | etherlactamaromatic heteromonocyclic compoundmonosaccharidepyrimidoneinositol phosphatedialkyl etherpyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundpyrimidine nucleosideorganoheterocyclic compound1,2-diolvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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