Details
Stereochemistry | ACHIRAL |
Molecular Formula | C21H20O9S |
Molecular Weight | 448.443 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(OS(O)(=O)=O)C=C2)=CC=C1O
InChI
InChIKey=NEJVQQBBTRFOHB-FCXRPNKRSA-N
InChI=1S/C21H20O9S/c1-28-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)29-2)30-31(25,26)27/h3-12,24H,13H2,1-2H3,(H,25,26,27)/b7-3+,8-4+
Molecular Formula | C21H20O9S |
Molecular Weight | 448.443 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:57:36 GMT 2023
by
admin
on
Sat Dec 16 08:57:36 GMT 2023
|
Record UNII |
160DHE331M
|
Record Status |
Validated (UNII)
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Record Version |
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-
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339286-19-0
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66645351
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admin on Sat Dec 16 08:57:36 GMT 2023 , Edited by admin on Sat Dec 16 08:57:36 GMT 2023
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DTXSID10893526
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admin on Sat Dec 16 08:57:36 GMT 2023 , Edited by admin on Sat Dec 16 08:57:36 GMT 2023
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DB14635
Created by
admin on Sat Dec 16 08:57:36 GMT 2023 , Edited by admin on Sat Dec 16 08:57:36 GMT 2023
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160DHE331M
Created by
admin on Sat Dec 16 08:57:36 GMT 2023 , Edited by admin on Sat Dec 16 08:57:36 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> METABOLITE |