Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H32N2O14S |
| Molecular Weight | 652.624 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC1=C(OC)C=CC(=C1)[C@@H](CS(C)(=O)=O)N2C(=O)C3=CC=CC(NC(=O)CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3C2=O
InChI
InChIKey=PXGRPRMSHWEHFT-XYYMMDJTSA-N
InChI=1S/C28H32N2O14S/c1-4-42-18-10-13(8-9-17(18)41-2)16(12-45(3,39)40)30-25(35)14-6-5-7-15(20(14)26(30)36)29-19(31)11-43-28-23(34)21(32)22(33)24(44-28)27(37)38/h5-10,16,21-24,28,32-34H,4,11-12H2,1-3H3,(H,29,31)(H,37,38)/t16-,21+,22+,23-,24+,28-/m1/s1
| Molecular Formula | C28H32N2O14S |
| Molecular Weight | 652.624 |
| 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 09:58:27 UTC 2023
by
admin
on
Sat Dec 16 09:58:27 UTC 2023
|
| Record UNII |
3O5LOZ8H92
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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3O5LOZ8H92
Created by
admin on Sat Dec 16 09:58:27 UTC 2023 , Edited by admin on Sat Dec 16 09:58:27 UTC 2023
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PRIMARY | |||
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1384814-93-0
Created by
admin on Sat Dec 16 09:58:27 UTC 2023 , Edited by admin on Sat Dec 16 09:58:27 UTC 2023
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57524483
Created by
admin on Sat Dec 16 09:58:27 UTC 2023 , Edited by admin on Sat Dec 16 09:58:27 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MINOR
PLASMA; URINE
|
