| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:46 UTC |
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| Update Date | 2025-03-25 00:56:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216952 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H26O12 |
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| Molecular Mass | 482.1424 |
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| SMILES | O=C(O)C1(O)CC(O)C(O)C(OC(Cc2ccc(O)c(O)c2)C(O)Cc2ccc(O)c(O)c2)O1 |
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| InChI Key | MKZUSEPNICVDTO-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 | Not Available |
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| Subclass | lignans, neolignans and related compounds |
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| Direct Parent | lignans, neolignans and related compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidnorlignan skeletoncarboxylic acid derivativepyran carboxylic acidorganic oxideacetalhemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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