Summary

IMPPAT Phytochemical identifier: IMPHY002907

Phytochemical name: galactopinitol A

Synonymous chemical names:
galactopinitol a

External chemical identifiers:
CID:25201084, ChEBI:139380, ZINC:ZINC000095620396

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Chemical structure information

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

InChI:
InChI=1S/C13H24O11/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12+,13-/m1/s1

InChIKey:
WFSVEMFCPALUBB-GDYURJOXSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCCCO2)CC1

Scaffold Graph/Node level:
C1CCC(OC2CCCCO2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)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: Polyols

NP Classifier Class: Cyclitols

NP-Likeness score: 2.099

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Chemical structure download