| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:50 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157643 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16O7 |
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| Molecular Mass | 344.0896 |
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| SMILES | O=C(O)CCC1OC(c2ccc(O)c(O)c2)c2cc3c(cc21)OCO3 |
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| InChI Key | RTVBWEQKBLSXFX-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 | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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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 derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesisocoumaransmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativedialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesisocoumaranorganic oxygen compoundacetalaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
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