| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:05 UTC |
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| Update Date | 2025-03-25 00:50:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178732 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H27NO15P2 |
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| Molecular Mass | 535.0856 |
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| SMILES | Cc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c1 |
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| InChI Key | JCHWANYRGUZCFE-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssubstituted pyrrolestetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatesubstituted pyrroleorganic oxideorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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