Summary

IMPPAT Phytochemical identifier: IMPHY008823

Phytochemical name: 3-Methoxy-5-acetyl-31-tritriacontene

Synonymous chemical names:
3-methoxy-5-acetyl-31-tritriacontene

Chemical structure information

SMILES:
C/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)C)CC(OC)CC

InChI:
InChI=1S/C36H70O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35(34(3)37)33-36(6-2)38-4/h5,7,35-36H,6,8-33H2,1-4H3/b7-5+

InChIKey:
LBUYJOMOPXYOKL-FNORWQNLSA-N

DeepSMILES:
C/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCC=O)C))CCOC))CC

Functional groups:
C/C=C/C, CC(C)=O, COC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.858

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Chemical structure download