| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:59 UTC |
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| Update Date | 2025-03-25 00:56:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217483 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H16O7 |
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| Molecular Mass | 356.0896 |
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| SMILES | O=C1OCC2C(O)c3cc4c(cc3C(c3cc(O)ccc3O)C12)OCO4 |
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| InChI Key | XIJOMLBRNKMTMF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lignans, neolignans and related compounds |
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| Class | lignan lactones |
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| Subclass | lignan lactones |
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| Direct Parent | lignan lactones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsaryltetralin lignansbenzene and substituted derivativesbenzodioxolescarbonyl compoundscarboxylic acid estersfuranonaphthodioxolesgamma butyrolactoneshydrocarbon derivativeshydroquinonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofuranstetralins |
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| Substituents | linear furanonaphthodioxoletetralinmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-aryltetralin lignancarboxylic acid derivativelignan lactonelactoneorganic oxideacetalaromatic heteropolycyclic compoundorganoheterocyclic compoundbenzodioxolealcoholnaphthofurantetrahydrofurangamma butyrolactonehydroquinoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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