| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:19 UTC |
|---|
| Update Date | 2025-03-25 00:51:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02186058 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H20O12 |
|---|
| Molecular Mass | 416.0955 |
|---|
| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OCOC1OC(C(O)O)C(O)(C(=O)O)CC1O |
|---|
| InChI Key | DYIKSIACMDWFHX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | hydroxycinnamic acids and derivatives |
|---|
| Direct Parent | hydroxycinnamic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,1-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarbonyl hydratescarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholstertiary alcohols |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidcarbonyl hydratearomatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativealpha,beta-unsaturated carboxylic estersaccharideorganic oxideacetaloxaneorganoheterocyclic compoundenoate esteralcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoid1,1-diolhydroxycinnamic acidoxacyclefatty acid estertertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
