| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:25 UTC |
|---|
| Update Date | 2025-03-25 00:56:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02220834 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H11NO7 |
|---|
| Molecular Mass | 317.0536 |
|---|
| SMILES | O=C1CC(c2ccc(O)cc2)Oc2c1c(O)cc(O)c2[N+](=O)[O-] |
|---|
| InChI Key | QGSLFAQFYDSACA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | flavans |
|---|
| Direct Parent | flavanones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-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 |
|---|
| 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 compoundoxacyclevinylogous acidorganic oxygen compound7-hydroxyflavonoid4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitritearyl ketone |
|---|
