Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C28H30N2O3 |
| Molecular Weight | 442.5494 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3O)C=C2)C1)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChIKey=MQEQBFMESJKUBQ-XQZUBTRRSA-N
InChI=1S/C28H30N2O3/c29-27(32)28(21-7-3-1-4-8-21,22-9-5-2-6-10-22)23-14-16-30(18-23)15-13-20-11-12-26-24(17-20)25(31)19-33-26/h1-12,17,23,25,31H,13-16,18-19H2,(H2,29,32)/t23-,25?/m1/s1
| Molecular Formula | C28H30N2O3 |
| Molecular Weight | 442.5494 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:51:51 GMT 2025
by
admin
on
Mon Mar 31 22:51:51 GMT 2025
|
| Record UNII |
GKS9J5ENH7
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English |
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GKS9J5ENH7
Created by
admin on Mon Mar 31 22:51:51 GMT 2025 , Edited by admin on Mon Mar 31 22:51:51 GMT 2025
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206048-82-0
Created by
admin on Mon Mar 31 22:51:51 GMT 2025 , Edited by admin on Mon Mar 31 22:51:51 GMT 2025
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54085540
Created by
admin on Mon Mar 31 22:51:51 GMT 2025 , Edited by admin on Mon Mar 31 22:51:51 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
FECAL; PLASMA
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