Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H18O13 |
| Molecular Weight | 478.3598 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)C(O)=O
InChI
InChIKey=DUBCCGAQYVUYEU-ZUGPOPFOSA-N
InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1
| Molecular Formula | C21H18O13 |
| Molecular Weight | 478.3598 |
| 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
Fri Dec 15 22:03:23 UTC 2023
by
admin
on
Fri Dec 15 22:03:23 UTC 2023
|
| Record UNII |
RY36PD0CQ2
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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22688-79-5
Created by
admin on Fri Dec 15 22:03:23 UTC 2023 , Edited by admin on Fri Dec 15 22:03:23 UTC 2023
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66395
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admin on Fri Dec 15 22:03:23 UTC 2023 , Edited by admin on Fri Dec 15 22:03:23 UTC 2023
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RY36PD0CQ2
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admin on Fri Dec 15 22:03:23 UTC 2023 , Edited by admin on Fri Dec 15 22:03:23 UTC 2023
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Miquelianin
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admin on Fri Dec 15 22:03:23 UTC 2023 , Edited by admin on Fri Dec 15 22:03:23 UTC 2023
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5274585
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admin on Fri Dec 15 22:03:23 UTC 2023 , Edited by admin on Fri Dec 15 22:03:23 UTC 2023
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DTXSID70945358
Created by
admin on Fri Dec 15 22:03:23 UTC 2023 , Edited by admin on Fri Dec 15 22:03:23 UTC 2023
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| Related Record | Type | Details | ||
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PARENT -> CONSTITUENT ALWAYS PRESENT |
The compound was screened for it's antioxidant capacity in the DPPH assay, and displayed a high antioxidant activity, with an IC50 value of 44.4 uM.
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PARENT -> CONSTITUENT ALWAYS PRESENT |
| Related Record | Type | Details | ||
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PARENT -> METABOLITE |
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IN-VIVO
URINE
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