Summary

IMPPAT Phytochemical identifier: IMPHY015459

Phytochemical name: 2-Nonanone, 9-hydroxy-

Synonymous chemical names:
9-hydroxynonan-2-one

External chemical identifiers:
CID:537408, SureChEMBL:SCHEMBL3950984

---

Chemical structure information

SMILES:
OCCCCCCCC(=O)C

InChI:
InChI=1S/C9H18O2/c1-9(11)7-5-3-2-4-6-8-10/h10H,2-8H2,1H3

InChIKey:
HQVHZUJAAKTDQH-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCC=O)C

Functional groups:
CC(C)=O, CO

---

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, Oxygenated hydrocarbons

NP-Likeness score: 1.003

---

Chemical structure download