| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:53:24 UTC |
|---|
| Update Date | 2025-03-21 18:03:49 UTC |
|---|
| HMDB ID | HMDB0127797 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00046742 |
|---|
| Name | 3-hydroxy-2-(3-methoxyphenyl)-5-sulfino-3,4-dihydro-2H-1-benzopyran-7-olate |
|---|
| Frequency | 71.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H16O6S |
|---|
| Molecular Mass | 336.0668 |
|---|
| SMILES | COc1cccc(C2Oc3cc(O)cc(S(=O)O)c3CC2O)c1 |
|---|
| InChI Key | FJGWQKDQMDIWOD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | o-methylated flavonoids |
|---|
| Direct Parent | 3'-o-methylated flavonoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids3-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesflavan-3-olshydrocarbon derivativesmethoxybenzenesorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundssecondary alcoholssulfinic acids |
|---|
| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidorganic oxidearomatic heteropolycyclic compoundchromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyranmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
