CHEBI:197020 - PPOH

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PPOH
ChEBI ID CHEBI:197020
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H18O3
Net Charge 0
Average Mass 246.306
Monoisotopic Mass 246.12559
InChI InChI=1S/C15H18O3/c1-2-12-18-14-10-7-6-9-13(14)8-4-3-5-11-15(16)17/h1,6-7,9-10H,3-5,8,11-12H2,(H,16,17)
InChIKey CUNYTKVXYZYERK-UHFFFAOYSA-N
SMILES O(C=1C(CCCCCC(O)=O)=CC=CC1)CC#C
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing PPOH (CHEBI:197020) is a aromatic ether (CHEBI:35618)
IUPAC Name
6-(2-prop-2-ynoxyphenyl)hexanoic acid
Manual Xrefs Databases
21378683 ChemSpider
HMDB0256719 HMDB
U3T PDBeChem
View more database links