Summary

IMPPAT Phytochemical identifier: IMPHY016864

Phytochemical name: Tetrahydrogeranyl acetone

Synonymous chemical names:
tetrahydrogeranyl acetone

External chemical identifiers:
CID:129734163

---

Chemical structure information

SMILES:
CC(CC(=O)CC(=O)C)CCCC(C)C

InChI:
InChI=1S/C13H24O2/c1-10(2)6-5-7-11(3)8-13(15)9-12(4)14/h10-11H,5-9H2,1-4H3

InChIKey:
DFUJWVOONSBWNO-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)CC=O)C)))))CCCCC)C

Functional groups:
CC(C)=O

---

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: 1.193

---

Chemical structure download