Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H28N2O13S |
| Molecular Weight | 608.571 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(C=C1)[C@@H](CS(C)(=O)=O)N3C(=O)C4=CC=CC(NC(C)=O)=C4C3=O
InChI
InChIKey=IHODEIGSZXAFEQ-YIKHYSHPSA-N
InChI=1S/C26H28N2O13S/c1-11(29)27-14-6-4-5-13-18(14)24(34)28(23(13)33)15(10-42(3,37)38)12-7-8-16(39-2)17(9-12)40-26-21(32)19(30)20(31)22(41-26)25(35)36/h4-9,15,19-22,26,30-32H,10H2,1-3H3,(H,27,29)(H,35,36)/t15-,19+,20+,21-,22+,26-/m1/s1
| Molecular Formula | C26H28N2O13S |
| Molecular Weight | 608.571 |
| 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 10:08:36 GMT 2023
by
admin
on
Sat Dec 16 10:08:36 GMT 2023
|
| Record UNII |
98S95XY31M
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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98S95XY31M
Created by
admin on Sat Dec 16 10:08:36 GMT 2023 , Edited by admin on Sat Dec 16 10:08:36 GMT 2023
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1384814-91-8
Created by
admin on Sat Dec 16 10:08:36 GMT 2023 , Edited by admin on Sat Dec 16 10:08:36 GMT 2023
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57524487
Created by
admin on Sat Dec 16 10:08:36 GMT 2023 , Edited by admin on Sat Dec 16 10:08:36 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MINOR
PLASMA; URINE
|
