| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:22 UTC |
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| Update Date | 2025-03-25 00:50:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183859 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H11NO6 |
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| Molecular Mass | 301.0586 |
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| SMILES | O=C1CC(c2ccc(O)cc2)Oc2cc([N+](=O)[O-])cc(O)c21 |
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| InChI Key | KEGKZVFFEBLLDD-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 | flavans |
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| Direct Parent | flavanones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoidsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativeschromoneshydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundsvinylogous acids |
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| Substituents | monocyclic benzene moietyetheraryl alkyl ketone1-benzopyranflavanoneallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidechromonearomatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundchromaneorganic oxoazaniumorganoheterocyclic compoundnitroaromatic compoundbenzopyran5-hydroxyflavonoidorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compound4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitritearyl ketone |
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