Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H18O12 |
| Molecular Weight | 462.3604 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]1[C@H](OC2=C(O)C=C3OC(=CC(=O)C3=C2O)C4=CC=C(O)C=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
InChI
InChIKey=HBLWMMBFOKSEKW-BHWDSYMASA-N
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)11-5-9(23)13-12(31-11)6-10(24)18(14(13)25)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-6,15-17,19,21-22,24-28H,(H,29,30)/t15-,16-,17+,19-,21+/m0/s1
| Molecular Formula | C21H18O12 |
| Molecular Weight | 462.3604 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:42:00 UTC 2023
by
admin
on
Sat Dec 16 15:42:00 UTC 2023
|
| Record UNII |
FRH0WC636A
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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62023-92-1
Created by
admin on Sat Dec 16 15:42:00 UTC 2023 , Edited by admin on Sat Dec 16 15:42:00 UTC 2023
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PRIMARY | |||
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FRH0WC636A
Created by
admin on Sat Dec 16 15:42:00 UTC 2023 , Edited by admin on Sat Dec 16 15:42:00 UTC 2023
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PRIMARY | |||
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11996857
Created by
admin on Sat Dec 16 15:42:00 UTC 2023 , Edited by admin on Sat Dec 16 15:42:00 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
MAJOR
PLASMA; URINE
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PARENT -> METABOLITE |
FECAL
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