| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:04 UTC |
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| Update Date | 2025-03-25 01:01:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251842 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H13NO7S |
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| Molecular Mass | 351.0413 |
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| SMILES | O=[N+]([O-])c1ccc(C2Oc3cc(S(=O)O)cc(O)c3CC2O)cc1 |
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| InChI Key | GMMDOSDEYIYIRY-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 | 3-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 benzenoids5-hydroxyflavonoidsalkyl aryl ethersflavan-3-olshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssulfinic acids |
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| Substituents | monocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavansulfinic acid derivativeallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundchromaneorganic oxoazaniumflavan-3-olorganoheterocyclic compoundnitrobenzenenitroaromatic compoundalcoholbenzopyran5-hydroxyflavonoidorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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