Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H32N2O14S |
| Molecular Weight | 640.613 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)[C@@H](CS(C)(=O)=O)NC(=O)C3=CC=CC(NC(C)=O)=C3C(O)=O
InChI
InChIKey=BEMHBAMCTAUZIO-RWIDXYMRSA-N
InChI=1S/C27H32N2O14S/c1-4-41-18-10-13(8-9-17(18)42-27-22(33)20(31)21(32)23(43-27)26(37)38)16(11-44(3,39)40)29-24(34)14-6-5-7-15(28-12(2)30)19(14)25(35)36/h5-10,16,20-23,27,31-33H,4,11H2,1-3H3,(H,28,30)(H,29,34)(H,35,36)(H,37,38)/t16-,20+,21+,22-,23+,27-/m1/s1
| Molecular Formula | C27H32N2O14S |
| Molecular Weight | 640.613 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:08:14 GMT 2023
by
admin
on
Sat Dec 16 10:08:14 GMT 2023
|
| Record UNII |
2R4D1XUZ78
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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2R4D1XUZ78
Created by
admin on Sat Dec 16 10:08:14 GMT 2023 , Edited by admin on Sat Dec 16 10:08:14 GMT 2023
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1384814-92-9
Created by
admin on Sat Dec 16 10:08:14 GMT 2023 , Edited by admin on Sat Dec 16 10:08:14 GMT 2023
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91810684
Created by
admin on Sat Dec 16 10:08:14 GMT 2023 , Edited by admin on Sat Dec 16 10:08:14 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MINOR
URINE
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