Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H22N2O10S |
| Molecular Weight | 506.482 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NS(=O)(=O)C1=CC=C(C=C1)C2=C(CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ON=C2C4=CC=CC=C4
InChI
InChIKey=PHLORNRFZVPOGS-SXFAUFNYSA-N
InChI=1S/C22H22N2O10S/c23-35(30,31)13-8-6-11(7-9-13)15-14(34-24-16(15)12-4-2-1-3-5-12)10-32-22-19(27)17(25)18(26)20(33-22)21(28)29/h1-9,17-20,22,25-27H,10H2,(H,28,29)(H2,23,30,31)/t17-,18-,19+,20-,22+/m0/s1
| Molecular Formula | C22H22N2O10S |
| Molecular Weight | 506.482 |
| 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
Wed Apr 02 11:46:52 GMT 2025
by
admin
on
Wed Apr 02 11:46:52 GMT 2025
|
| Record UNII |
58XJR39HP2
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Systematic Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English |
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501093-55-6
Created by
admin on Wed Apr 02 11:46:52 GMT 2025 , Edited by admin on Wed Apr 02 11:46:52 GMT 2025
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58XJR39HP2
Created by
admin on Wed Apr 02 11:46:52 GMT 2025 , Edited by admin on Wed Apr 02 11:46:52 GMT 2025
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PRIMARY | |||
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156028109
Created by
admin on Wed Apr 02 11:46:52 GMT 2025 , Edited by admin on Wed Apr 02 11:46:52 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
MAJOR
URINE
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