| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:20 UTC |
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| Update Date | 2025-03-25 01:02:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254651 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O5S |
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| Molecular Mass | 272.0718 |
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| SMILES | CC(C)C1Oc2cc(S(=O)O)cc(O)c2CC1O |
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| InChI Key | AXLQZVUPFPLATP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersbenzenoidshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundssecondary alcoholssulfinic acids |
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| Substituents | alcoholether1-benzopyransulfinic acid derivative1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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