| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:51 UTC |
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| Update Date | 2025-03-21 18:39:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126689 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C15H24N2O16P2 |
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| Molecular Mass | 550.0601 |
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| SMILES | O=c1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3C(O)C(O)C(O)C(O)C3O)O2)c(=O)[nH]1 |
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| InChI Key | CFWBUZCIIAJIRM-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 | azacyclic compoundscyclohexanolsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonestetrahydrofuransvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepyrimidoneinositol phosphatepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcyclohexanolorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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