| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:34 UTC |
|---|
| Update Date | 2025-03-25 00:46:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157046 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H11O6+ |
|---|
| Molecular Mass | 323.055 |
|---|
| SMILES | O=C1OC2=CC(c3ccc(O)cc3)=[O+]C2=C1c1ccc(O)cc1O |
|---|
| InChI Key | SIFDEMFCKUMTMV-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | benzenediols |
|---|
| Direct Parent | resorcinols |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl ketonesbenzene and substituted derivativesbutenolidescarbonyl compoundsdihydrofuransenoate estersenol estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic cationsorganic oxidesoxacyclic compounds |
|---|
| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinollactonealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidearomatic heteropolycyclic compoundorganic cationenol esterorganoheterocyclic compounddihydrofuranenoate ester1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compoundaryl ketone |
|---|
