Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H30N2O9 |
| Molecular Weight | 466.4816 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCN(CC)C(=O)[C@]1(C[C@H]1CNC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C3=CC=CC=C3
InChI
InChIKey=CJQUAXXSVBPRHH-GFAIEWKQSA-N
InChI=1S/C22H30N2O9/c1-3-24(4-2)20(30)22(12-8-6-5-7-9-12)10-13(22)11-23-21(31)33-19-16(27)14(25)15(26)17(32-19)18(28)29/h5-9,13-17,19,25-27H,3-4,10-11H2,1-2H3,(H,23,31)(H,28,29)/t13-,14-,15-,16+,17-,19-,22+/m0/s1
| Molecular Formula | C22H30N2O9 |
| Molecular Weight | 466.4816 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:34:46 UTC 2023
by
admin
on
Sat Dec 16 09:34:46 UTC 2023
|
| Record UNII |
7QCI92WN4P
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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7QCI92WN4P
Created by
admin on Sat Dec 16 09:34:47 UTC 2023 , Edited by admin on Sat Dec 16 09:34:47 UTC 2023
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91810694
Created by
admin on Sat Dec 16 09:34:47 UTC 2023 , Edited by admin on Sat Dec 16 09:34:47 UTC 2023
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1446438-98-7
Created by
admin on Sat Dec 16 09:34:47 UTC 2023 , Edited by admin on Sat Dec 16 09:34:47 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> METABOLITE |
MAJOR
URINE
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PARENT -> METABOLITE |
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