Summary

IMPPAT Phytochemical identifier: IMPHY014265

Phytochemical name: 10-Acetoxyneryl acetate

Synonymous chemical names:
10-acetoxyneryl acetate

External chemical identifiers:
CID:13857176, SureChEMBL:SCHEMBL11068026

---

Chemical structure information

SMILES:
CC(=O)OC/C(=C/COC(=O)C)/CCC=C(C)C

InChI:
InChI=1S/C14H22O4/c1-11(2)6-5-7-14(10-18-13(4)16)8-9-17-12(3)15/h6,8H,5,7,9-10H2,1-4H3/b14-8+

InChIKey:
BGMGTQUWFVQNBG-RIYZIHGNSA-N

DeepSMILES:
CC=O)OC/C=C/COC=O)C)))))/CCC=CC)C

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

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 2

---

Chemical structure download