Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H16O9S |
| Molecular Weight | 384.3596 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COc1ccc(cc1O)[C@]2([H])[C@@]([H])(Cc3c(cc(cc3O2)OS(=O)(=O)O)O)O
InChI
InChIKey=NCEYJABYRYYGNC-CZUORRHYSA-N
InChI=1S/C16H16O9S/c1-23-14-3-2-8(4-12(14)18)16-13(19)7-10-11(17)5-9(6-15(10)24-16)25-26(20,21)22/h2-6,13,16-19H,7H2,1H3,(H,20,21,22)/t13-,16-/m1/s1
| Molecular Formula | C16H16O9S |
| Molecular Weight | 384.3596 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 07:36:55 UTC 2021
by
admin
on
Sat Jun 26 07:36:55 UTC 2021
|
| Record UNII |
K37MX49C8A
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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71579292
Created by
admin on Sat Jun 26 07:36:55 UTC 2021 , Edited by admin on Sat Jun 26 07:36:55 UTC 2021
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PRIMARY | |||
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K37MX49C8A
Created by
admin on Sat Jun 26 07:36:55 UTC 2021 , Edited by admin on Sat Jun 26 07:36:55 UTC 2021
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PRIMARY | |||
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1383625-98-6
Created by
admin on Sat Jun 26 07:36:55 UTC 2021 , Edited by admin on Sat Jun 26 07:36:55 UTC 2021
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
IN-VIVO
PLASMA; URINE
|
