Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H16BNO6 |
| Molecular Weight | 293.08 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)NC[C@H]1OB(O)C2=C(OCCC(O)=O)C=CC=C12
InChI
InChIKey=IECQEDZZJUTCHL-LLVKDONJSA-N
InChI=1S/C13H16BNO6/c1-8(16)15-7-11-9-3-2-4-10(13(9)14(19)21-11)20-6-5-12(17)18/h2-4,11,19H,5-7H2,1H3,(H,15,16)(H,17,18)/t11-/m1/s1
| Molecular Formula | C13H16BNO6 |
| Molecular Weight | 293.08 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 07:02:30 GMT 2025
by
admin
on
Wed Apr 02 07:02:30 GMT 2025
|
| Record UNII |
P11O47TC0V
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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Systematic Name | English | ||
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| Code System | Code | Type | Description | ||
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P11O47TC0V
Created by
admin on Wed Apr 02 07:02:30 GMT 2025 , Edited by admin on Wed Apr 02 07:02:30 GMT 2025
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1554418-28-8
Created by
admin on Wed Apr 02 07:02:30 GMT 2025 , Edited by admin on Wed Apr 02 07:02:30 GMT 2025
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118753287
Created by
admin on Wed Apr 02 07:02:30 GMT 2025 , Edited by admin on Wed Apr 02 07:02:30 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
URINE
|