| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:54 UTC |
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| Update Date | 2025-03-25 00:56:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221932 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H18O12S |
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| Molecular Mass | 470.0519 |
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| SMILES | O=c1oc2cc(OC3OC(COS(=O)(=O)O)C(O)C(O)C3O)ccc2c2cccc(O)c12 |
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| InChI Key | LWODFRKBXOXOIM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-benzopyransacetalsalkyl sulfatesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyranones and derivativessecondary alcoholssulfuric acid monoestersvinylogous acids |
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| Substituents | phenol ethersulfuric acid monoester1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidelactonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundalkyl sulfatepyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranorganic sulfuric acid or derivativesheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidisocoumarincoumarinoxacyclevinylogous acidorganic oxygen compoundpyran2-benzopyransecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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