Equol 7-glucuronide-4'-sulfate
Showing entry for Equol 7-glucuronide-4'-sulfate
Identification
- PhytoHub ID
- PHUB003101
- Name
- Equol 7-glucuronide-4'-sulfate
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 498.46
- Monoisotopic Mass
- 498.083197322
- Chemical Formula
- C21H22O12S
- IUPAC Name
- Not Available
- InChI Key
- DCADPOMXVOAUEH-MEWIKXGDNA-N
- InChI Identifier
InChI=1/C21H22O12S/c22-16-17(23)19(20(25)26)32-21(18(16)24)31-14-6-3-11-7-12(9-30-15(11)8-14)10-1-4-13(5-2-10)33-34(27,28)29/h1-6,8,12,16-19,21-24H,7,9H2,(H,25,26)(H,27,28,29)/t12?,16-,17-,18+,19-,21?/s2
- SMILES
O[C@@H]1[C@@H](O)C(OC2=CC3=C(CC(CO3)C3=CC=C(OS(O)(=O)=O)C=C3)C=C2)O[C@@H]([C@H]1O)C(O)=O
- Structure
Structure for Equol 7-glucuronide-4'-sulfate
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Flavonoid metabolites
- Sub-class
- Isoflavones (parent, host and microbial metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Daidzein | Polyphenols | Flavonoids | Isoflavones | Show Food Phytochemical |
| Daidzin | Polyphenols | Flavonoids | Isoflavones | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Daidzein | Red clover | Pulses and beans | Publications | Show | |
| Daidzein | Soy bean | Soy and soy products | Show | ||
| Daidzein | Soy milk | Soy and soy products | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Daidzein | Equol 7-glucuronide-4'-sulfate | human | Not Available | host-gut microbiota co-metabolite | Not Available | Not Available | Not Available | C21H22O12S | 498.083197322 | Publications | |||
| Daidzin | Equol 7-glucuronide-4'-sulfate | human | Not Available | host-gut microbiota co-metabolite | Not Available | Not Available | Not Available | C21H22O12S | 498.083197322 |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|