Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H28O12 |
| Molecular Weight | 472.4398 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@]3(CO)[C@@](C)(C[C@H]1O)[C@]25CO5
InChI
InChIKey=LMJBASXLWPRJIC-QRTFYCIOSA-N
InChI=1S/C21H28O12/c1-7-3-9-20(5-22,19(2)4-8(23)15(31-9)21(19)6-30-21)16(10(7)24)33-18-13(27)11(25)12(26)14(32-18)17(28)29/h3,8-9,11-16,18,22-23,25-27H,4-6H2,1-2H3,(H,28,29)/t8-,9-,11+,12+,13-,14+,15-,16-,18+,19-,20-,21+/m1/s1
| Molecular Formula | C21H28O12 |
| Molecular Weight | 472.4398 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:52:49 GMT 2023
by
admin
on
Sat Dec 16 14:52:49 GMT 2023
|
| Record UNII |
EJ6J99X8GP
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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1408196-85-9
Created by
admin on Sat Dec 16 14:52:49 GMT 2023 , Edited by admin on Sat Dec 16 14:52:49 GMT 2023
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134687248
Created by
admin on Sat Dec 16 14:52:49 GMT 2023 , Edited by admin on Sat Dec 16 14:52:49 GMT 2023
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EJ6J99X8GP
Created by
admin on Sat Dec 16 14:52:49 GMT 2023 , Edited by admin on Sat Dec 16 14:52:49 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
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