KICKXIN
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Name
KICKXIN
IUPAC name
(1aR,2S,5aS,6R,6aS)-5a-hydroxy-1a-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl (1S,7S)-7-hydroxy-7-methyl-1-(((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
SMILES
C1(=CO[C@H](C2C1CC[C@]2(C)O)C[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)C(=O)O[C@H]4[C@]7(C([C@@]5([C@H]4O5)C)[C@H](O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O)O)O)OC=C7)O
Molecular formula
C32H46O18
Molecular weight
718.70 g/mol
Monoisotopic mass
718.2684 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Kickxia spuria (L.) Dumort. subsp. spuria | aerial parts | - |
No reference
|