Summary

IMPPAT Phytochemical identifier: IMPHY003438

Phytochemical name: Planteose

Synonymous chemical names:
6-o-α-d-galactopyranosyl-β-d-fructofuranosyl-α-d-glucopyranoside (planteose), planteose

External chemical identifiers:
CID:440140, ChEBI:17332, ZINC:ZINC000008218909, FDASRS:50Z20GQP23, SureChEMBL:SCHEMBL14935969

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Chemical structure information

SMILES:
OC[C@H]1O[C@H](OC[C@H]2O[C@@]([C@H]([C@@H]2O)O)(CO)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O)O

InChI:
InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-10(24)15(29)18(4-21,33-7)34-17-14(28)12(26)9(23)6(2-20)32-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1

InChIKey:
NIBVDXPSJBYJFT-ZQSKZDJDSA-N

DeepSMILES:
OC[C@H]O[C@H]OC[C@H]O[C@@][C@H][C@@H]5O))O))CO))O[C@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O)))))))))))[C@@H][C@H][C@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OCC2CCC(OC3CCCCO3)O2)OC1

Scaffold Graph/Node level:
C1CCC(OCC2CCC(OC3CCCCO3)O2)OC1

Scaffold Graph level:
C1CCC(CCC2CCC(CC3CCCCC3)C2)CC1

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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: Disaccharides, Polysaccharides

NP-Likeness score: 1.688

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Chemical structure download