Summary

IMPPAT Phytochemical identifier: IMPHY017235

Phytochemical name: Laminitol

Synonymous chemical names:
isomytilitol

External chemical identifiers:
CID:244581

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Chemical structure information

SMILES:
OC1C(O)C(O)C(C(C1O)O)(C)O

InChI:
InChI=1S/C7H14O6/c1-7(13)5(11)3(9)2(8)4(10)6(7)12/h2-6,8-13H,1H3

InChIKey:
AJGYLNFUYLRZFR-UHFFFAOYSA-N

DeepSMILES:
OCCO)CO)CCC6O))O))C)O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Polyols

NP Classifier Class: Cyclitols

NP-Likeness score: 2.056

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Chemical structure download