| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:54 UTC |
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| Update Date | 2025-03-25 00:53:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203309 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O7 |
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| Molecular Mass | 318.074 |
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| SMILES | O=C(O)C1Oc2c(O)cccc2C(c2ccc(O)c(O)c2)C1O |
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| InChI Key | YSQVFNRODKFIQD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | neoflavonoids |
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| Subclass | neoflavans |
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| Direct Parent | neoflavans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | neoflavanmonocyclic benzene moietycarbonyl groupethercarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyranhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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