| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:40 UTC |
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| Update Date | 2025-03-25 00:50:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180041 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O7P2S |
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| Molecular Mass | 351.9935 |
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| SMILES | Cc1c(CCOP(=O)(O)OP(=O)(O)O)sc2ccccc12 |
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| InChI Key | YPBGCNMWTZLWCC-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 heteropolycyclic compounds |
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| Alternative Parents | 1-benzothiophenesbenzenoidsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesorganic oxidesorganooxygen compoundsthiophenes |
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| Substituents | heteroaromatic compoundthiopheneorganic pyrophosphateorganic oxidebenzothiophenephosphoric acid esteraromatic heteropolycyclic compound1-benzothiophenemonoalkyl phosphatehydrocarbon derivativebenzenoidorganic phosphoric acid derivativealkyl phosphateorganoheterocyclic compoundorganooxygen compound |
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