| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:18 UTC |
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| Update Date | 2025-03-25 00:59:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238503 |
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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)C1(O)CC(c2cccc(O)c2)Oc2cc(O)cc(O)c21 |
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| InChI Key | PGTZCMWSVHWIRX-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 | flavonoids |
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| Subclass | hydroxyflavonoids |
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| Direct Parent | 4-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsflavanshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acid1-benzopyranflavanalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxide4-hydroxyflavonoidaromatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidhydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compound7-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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