| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:15 UTC |
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| Update Date | 2025-03-21 18:29:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077161 |
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| Frequency | 38.1 |
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| Structure | |
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| Chemical Formula | C22H22O10 |
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| Molecular Mass | 446.1213 |
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| SMILES | OCC1OC(Oc2cc3c(O)cc(O)cc3cc2-c2ccc(O)c(O)c2)C(O)C(O)C1O |
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| InChI Key | YUJLKJCTHFYLAL-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 | phenylnaphthalenes |
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| Direct Parent | phenylnaphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativeshydrocarbon derivativesmonosaccharidesnaphthols and derivativesoxacyclic compoundsoxanesphenol ethersprimary alcoholssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidmonosaccharide1-hydroxy-4-unsubstituted benzenoidoxacyclesaccharideorganic oxygen compoundacetalaromatic heteropolycyclic compoundphenylnaphthalenesecondary alcoholphenolhydrocarbon derivative1-naphtholoxaneprimary alcohol2-naphtholorganoheterocyclic compoundorganooxygen compound |
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