Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C36H45NO12 |
| Molecular Weight | 683.742 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C(O)C(C=O)=C(NC(=O)C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C)C(O)=C4C(O)=C3C
InChI
InChIKey=GGZYOFVKHSKDIP-WSMWQBPRSA-N
InChI=1S/C36H45NO12/c1-15-10-9-11-16(2)35(46)37-26-21(14-38)31(43)23-24(32(26)44)30(42)20(6)33-25(23)34(45)36(7,49-33)48-13-12-22(47-8)17(3)28(40)19(5)29(41)18(4)27(15)39/h9-15,17-19,22,27-29,39-44H,1-8H3,(H,37,46)/b10-9+,13-12+,16-11-/t15-,17+,18+,19-,22-,27-,28+,29+,36-/m0/s1
| Molecular Formula | C36H45NO12 |
| Molecular Weight | 683.742 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 19:31:42 GMT 2025
by
admin
on
Tue Apr 01 19:31:42 GMT 2025
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| Record UNII |
W23H162QVC
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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145635
Created by
admin on Tue Apr 01 19:31:42 GMT 2025 , Edited by admin on Tue Apr 01 19:31:42 GMT 2025
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W23H162QVC
Created by
admin on Tue Apr 01 19:31:42 GMT 2025 , Edited by admin on Tue Apr 01 19:31:42 GMT 2025
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16783-97-4
Created by
admin on Tue Apr 01 19:31:42 GMT 2025 , Edited by admin on Tue Apr 01 19:31:42 GMT 2025
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6438445
Created by
admin on Tue Apr 01 19:31:42 GMT 2025 , Edited by admin on Tue Apr 01 19:31:42 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
URINE
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PARENT -> METABOLITE |
FECAL
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