Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C18H22O9 |
| Molecular Weight | 382.3619 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCC2(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)OC(=O)C3=C2C=CC=C3
InChI
InChIKey=VOIWHUXQRMAAMC-XUDKMGLNSA-N
InChI=1S/C18H22O9/c1-2-3-8-18(10-7-5-4-6-9(10)16(24)26-18)27-17-13(21)11(19)12(20)14(25-17)15(22)23/h4-7,11-14,17,19-21H,2-3,8H2,1H3,(H,22,23)/t11-,12-,13+,14-,17-,18?/m0/s1
| Molecular Formula | C18H22O9 |
| Molecular Weight | 382.3619 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:07:17 UTC 2023
by
admin
on
Sat Dec 16 16:07:17 UTC 2023
|
| Record UNII |
UE6TG7GF9Y
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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1293998-93-2
Created by
admin on Sat Dec 16 16:07:17 UTC 2023 , Edited by admin on Sat Dec 16 16:07:17 UTC 2023
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156614156
Created by
admin on Sat Dec 16 16:07:17 UTC 2023 , Edited by admin on Sat Dec 16 16:07:17 UTC 2023
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UE6TG7GF9Y
Created by
admin on Sat Dec 16 16:07:17 UTC 2023 , Edited by admin on Sat Dec 16 16:07:17 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
URINE
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