| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:35 UTC |
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| Update Date | 2025-03-25 00:59:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236895 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H18O9 |
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| Molecular Mass | 438.0951 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1Oc2cc(O)ccc2OC1c1ccc(O)c(O)c1 |
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| InChI Key | NUKKOENNOWLKDY-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 | benzodioxanes |
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| Subclass | phenylbenzodioxanes |
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| Direct Parent | phenylbenzo-1,4-dioxanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersbenzene and substituted derivativesbenzo-1,4-dioxanescarbonyl compoundsenoate estersfatty acid estershydrocarbon derivativeshydroxycinnamic acidsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspara dioxins |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativehydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideacetalaromatic heteropolycyclic compoundenoate ester2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxane1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxincarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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