Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H28N2O12S |
| Molecular Weight | 580.561 |
| 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)N3C(=O)C4=CC=CC(N)=C4C3=O
InChI
InChIKey=VHHPTHASTVQNBL-SNMZJJBTSA-N
InChI=1S/C25H28N2O12S/c1-3-37-16-9-11(7-8-15(16)38-25-20(30)18(28)19(29)21(39-25)24(33)34)14(10-40(2,35)36)27-22(31)12-5-4-6-13(26)17(12)23(27)32/h4-9,14,18-21,25,28-30H,3,10,26H2,1-2H3,(H,33,34)/t14-,18+,19+,20-,21+,25-/m1/s1
| Molecular Formula | C25H28N2O12S |
| Molecular Weight | 580.561 |
| 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 09:58:26 UTC 2023
by
admin
on
Sat Dec 16 09:58:26 UTC 2023
|
| Record UNII |
MZP23HH05I
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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MZP23HH05I
Created by
admin on Sat Dec 16 09:58:26 UTC 2023 , Edited by admin on Sat Dec 16 09:58:26 UTC 2023
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PRIMARY | |||
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1384814-90-7
Created by
admin on Sat Dec 16 09:58:26 UTC 2023 , Edited by admin on Sat Dec 16 09:58:26 UTC 2023
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57524405
Created by
admin on Sat Dec 16 09:58:26 UTC 2023 , Edited by admin on Sat Dec 16 09:58:26 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MINOR
PLASMA; URINE
|
