Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H21NO10 |
| Molecular Weight | 447.3921 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)NC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(=CC=C1)C3=CC(=CC=C3)C(O)=O
InChI
InChIKey=WSNCGMGDGZPBBR-DQSYDGHTSA-N
InChI=1S/C21H21NO10/c1-9(23)22-13-7-3-6-12(10-4-2-5-11(8-10)19(27)28)17(13)31-21-16(26)14(24)15(25)18(32-21)20(29)30/h2-8,14-16,18,21,24-26H,1H3,(H,22,23)(H,27,28)(H,29,30)/t14-,15-,16+,18-,21+/m0/s1
| Molecular Formula | C21H21NO10 |
| Molecular Weight | 447.3921 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:58:27 UTC 2023
by
admin
on
Sat Dec 16 14:58:27 UTC 2023
|
| Record UNII |
JM7943FX37
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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155929071
Created by
admin on Sat Dec 16 14:58:27 UTC 2023 , Edited by admin on Sat Dec 16 14:58:27 UTC 2023
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PRIMARY | |||
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JM7943FX37
Created by
admin on Sat Dec 16 14:58:27 UTC 2023 , Edited by admin on Sat Dec 16 14:58:27 UTC 2023
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1395101-33-3
Created by
admin on Sat Dec 16 14:58:27 UTC 2023 , Edited by admin on Sat Dec 16 14:58:27 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
URINE
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