Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H21O12 |
| Molecular Weight | 465.3842 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 1 |
SHOW SMILES / InChI
SMILES
OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C4=CC(O)=C(O)C(O)=C4)[C@H](O)[C@@H](O)[C@H]1O
InChI
InChIKey=XENHPQQLDPAYIJ-YXRUOGEQSA-O
InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17+,18+,19-,21-/m1/s1
| Molecular Formula | C21H20O12 |
| Molecular Weight | 464.3763 |
| 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
Mon Mar 31 23:42:30 GMT 2025
by
admin
on
Mon Mar 31 23:42:30 GMT 2025
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| Record UNII |
3EKX6H5XWJ
|
| Record Status |
Validated (UNII)
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| Record Version |
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3EKX6H5XWJ
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5316498
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DTXSID701341476
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admin on Mon Mar 31 23:42:30 GMT 2025 , Edited by admin on Mon Mar 31 23:42:30 GMT 2025
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197250-28-5
Created by
admin on Mon Mar 31 23:42:30 GMT 2025 , Edited by admin on Mon Mar 31 23:42:30 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT |
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