| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:08 UTC |
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| Update Date | 2025-03-25 01:01:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252014 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18O10S |
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| Molecular Mass | 402.0621 |
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| SMILES | O=S(=O)(O)OCC1OC(Oc2ccc3c(O)cccc3c2)C(O)C(O)C1O |
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| InChI Key | ZTPWKKAMGFEXOO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl sulfateshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherssecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharideorganic oxideacetalaromatic heteropolycyclic compoundalkyl sulfateoxaneorganoheterocyclic compoundalcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivative1-naphtholsulfuric acid esterorganooxygen compound |
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