Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C25H28INO5 |
| Molecular Weight | 549.398 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCN(CC)CCOC1=C(I)C=C(C=C1)C(=O)C2=C(CCCC(O)=O)OC3=C2C=CC=C3
InChI
InChIKey=QLXMMDUCEAYUQO-UHFFFAOYSA-N
InChI=1S/C25H28INO5/c1-3-27(4-2)14-15-31-21-13-12-17(16-19(21)26)25(30)24-18-8-5-6-9-20(18)32-22(24)10-7-11-23(28)29/h5-6,8-9,12-13,16H,3-4,7,10-11,14-15H2,1-2H3,(H,28,29)
| Molecular Formula | C25H28INO5 |
| Molecular Weight | 549.398 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:10:56 GMT 2023
by
admin
on
Sat Dec 16 15:10:56 GMT 2023
|
| Record UNII |
5LHV8RAE8X
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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5LHV8RAE8X
Created by
admin on Sat Dec 16 15:10:56 GMT 2023 , Edited by admin on Sat Dec 16 15:10:56 GMT 2023
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118753324
Created by
admin on Sat Dec 16 15:10:56 GMT 2023 , Edited by admin on Sat Dec 16 15:10:56 GMT 2023
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1355969-13-9
Created by
admin on Sat Dec 16 15:10:56 GMT 2023 , Edited by admin on Sat Dec 16 15:10:56 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
BILE
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