| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:52 UTC |
|---|
| Update Date | 2025-03-25 00:47:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02159922 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H16O8S |
|---|
| Molecular Mass | 368.0566 |
|---|
| SMILES | O=S(O)c1cc(O)c2c(c1)OC(C(O)c1ccc(O)c(O)c1)C(O)C2 |
|---|
| InChI Key | XIRXXJIGENEHDO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzopyrans |
|---|
| Subclass | 1-benzopyrans |
|---|
| Direct Parent | 1-benzopyrans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaromatic alcoholsbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundssecondary alcoholssulfinic acids |
|---|
| Substituents | aromatic alcoholalcoholmonocyclic benzene moietyether1-benzopyransulfinic acid derivative1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
