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@]3(CO)[C@@](C)(C[C@H]1O[C@]4([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@]25CO5
InChI
InChIKey=GRFAWUZMBBQEMX-IJNZYEPRSA-N
InChI=1S/C21H28O12/c1-7-3-9-20(5-22,15(27)10(7)23)19(2)4-8(16(32-9)21(19)6-30-21)31-18-13(26)11(24)12(25)14(33-18)17(28)29/h3,8-9,11-16,18,22,24-27H,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 14:08:32 GMT 2023
by
admin
on
Sat Dec 16 14:08:32 GMT 2023
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Record UNII |
I0I7J8KVP2
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Record Status |
Validated (UNII)
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Record Version |
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-
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I0I7J8KVP2
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102202100
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1000000-13-4
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admin on Sat Dec 16 14:08:32 GMT 2023 , Edited by admin on Sat Dec 16 14:08:32 GMT 2023
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DTXSID90891843
Created by
admin on Sat Dec 16 14:08:32 GMT 2023 , Edited by admin on Sat Dec 16 14:08:32 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> METABOLITE |