Summary

IMPPAT Phytochemical identifier: IMPHY005480

Phytochemical name: Levan n

Synonymous chemical names:
fructane, fructans, fructosan

External chemical identifiers:
CID:440946, ZINC:ZINC000008220383

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Chemical structure information

SMILES:
OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)OC[C@H]1O[C@]([C@H]([C@@H]1O)O)(O)CO

InChI:
InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1

InChIKey:
ZFTFOHBYVDOAMH-XNOIKFDKSA-N

DeepSMILES:
OC[C@H]O[C@@][C@H][C@@H]5O))O))CO))OC[C@H]O[C@@][C@H][C@@H]5O))O))CO))OC[C@H]O[C@][C@H][C@@H]5O))O))O)CO

Functional groups:
CO, CO[C@@](C)(C)OC, C[C@@](C)(O)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1COC(COC2CCC(COC3CCCO3)O2)C1

Scaffold Graph/Node level:
C1COC(COC2CCC(COC3CCCO3)O2)C1

Scaffold Graph level:
C1CCC(CCC2CCC(CCC3CCCC3)C2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Polysaccharides

NP-Likeness score: 1.138

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Chemical structure download