Summary

IMPPAT Phytochemical identifier: IMPHY014601

Phytochemical name: 9-Hydroxylinaloyl glucoside

Synonymous chemical names:
9-hydroxylinaloyl glucoside, 9-hydroxylinaloyl glucosides

External chemical identifiers:
CID:101833767

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Chemical structure information

SMILES:
CCCCCCCCCCC(/C(=C/CC[C@](O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)(C=C)C)/C)O

InChI:
InChI=1S/C26H48O7/c1-5-7-8-9-10-11-12-13-16-20(28)19(3)15-14-17-26(4,6-2)33-25-24(31)23(30)22(29)21(18-27)32-25/h6,15,20-25,27-31H,2,5,7-14,16-18H2,1,3-4H3/b19-15+/t20?,21-,22-,23+,24-,25+,26-/m1/s1

InChIKey:
ZHXFKTIQPHAEBP-KGFFWSQDSA-N

DeepSMILES:
CCCCCCCCCCC/C=C/CC[C@]O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O))))))C=C))C)))))/C))O

Functional groups:
C/C=C(/C)C, C=CC, 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-Likeness score: 2.186

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Chemical structure download