Summary

IMPPAT Phytochemical identifier: IMPHY009231

Phytochemical name: Sarmentosine

Synonymous chemical names:
sarmentosine

External chemical identifiers:
CID:6438710

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OC/C=C(/C#N)CO)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C11H17NO7/c12-3-6(4-13)1-2-18-11-10(17)9(16)8(15)7(5-14)19-11/h1,7-11,13-17H,2,4-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1

InChIKey:
FWAYDNJCBHNWQD-JVNCHOTKSA-N

DeepSMILES:
OC[C@H]O[C@@H]OC/C=C/C#N))CO))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
C/C=C(C)C#N, CO, CO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acyl glycosides

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Amino acid glycosides

NP Classifier Class: Cyanogenic glycosides

NP-Likeness score: 2.245

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Chemical structure download