| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:59 UTC |
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| Update Date | 2025-03-25 01:02:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253873 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20O8P2 |
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| Molecular Mass | 354.0633 |
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| SMILES | CC(C)Cc1ccc(C(O)COP(=O)(O)OP(=O)(O)O)cc1 |
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| InChI Key | RQHWQWHDAFXZKM-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 | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholshydrocarbon derivativesmonoalkyl phosphatesorganic oxidesphenylpropanessecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietyorganic pyrophosphatephenylpropanearomatic homomonocyclic compoundorganic oxidephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativebenzenoidorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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