Summary

IMPPAT Phytochemical identifier: IMPHY008415

Phytochemical name: Lobetyol

Synonymous chemical names:
lobetyol

External chemical identifiers:
CID:5807986

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Chemical structure information

SMILES:
C/C=C/C#CC#CC(C(/C=C/CCCO)O)O

InChI:
InChI=1S/C14H18O3/c1-2-3-4-5-7-10-13(16)14(17)11-8-6-9-12-15/h2-3,8,11,13-17H,6,9,12H2,1H3/b3-2+,11-8+

InChIKey:
RKOQCMNXJZJWBU-FWTOVJONSA-N

DeepSMILES:
C/C=C/C#CC#CCC/C=C/CCCO))))))O))O

Functional groups:
C/C=C/C, CC#CC#C/C=C/C, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols, Hydrocarbons

NP-Likeness score: 3.333

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Chemical structure download