Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H31NO11 |
| Molecular Weight | 473.4709 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)[C@@H](O)CNCCCCCC(O)=O
InChI
InChIKey=QNXKBJUPFGYXKQ-CGXGPNJMSA-N
InChI=1S/C21H31NO11/c23-10-12-8-11(13(24)9-22-7-3-1-2-4-15(25)26)5-6-14(12)32-21-18(29)16(27)17(28)19(33-21)20(30)31/h5-6,8,13,16-19,21-24,27-29H,1-4,7,9-10H2,(H,25,26)(H,30,31)/t13-,16-,17-,18+,19-,21+/m0/s1
| Molecular Formula | C21H31NO11 |
| Molecular Weight | 473.4709 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 06:55:16 GMT 2025
by
admin
on
Wed Apr 02 06:55:16 GMT 2025
|
| Record UNII |
L6TT4RQ626
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
1463889-80-6
Created by
admin on Wed Apr 02 06:55:16 GMT 2025 , Edited by admin on Wed Apr 02 06:55:16 GMT 2025
|
PRIMARY | |||
|
L6TT4RQ626
Created by
admin on Wed Apr 02 06:55:16 GMT 2025 , Edited by admin on Wed Apr 02 06:55:16 GMT 2025
|
PRIMARY | |||
|
156028111
Created by
admin on Wed Apr 02 06:55:16 GMT 2025 , Edited by admin on Wed Apr 02 06:55:16 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
URINE
|
||
|
PARENT -> METABOLITE |
PLASMA
|
