compound/CID94378

http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID94378

Outgoing Links

Predicate	Object
in taxon	http://rdf.ncbi.nlm.nih.gov/pubchem/taxonomy/TAXID199615 http://rdf.ncbi.nlm.nih.gov/pubchem/taxonomy/TAXID3469 http://rdf.ncbi.nlm.nih.gov/pubchem/taxonomy/TAXID4060 http://rdf.ncbi.nlm.nih.gov/pubchem/taxonomy/TAXID637930 http://rdf.ncbi.nlm.nih.gov/pubchem/taxonomy/TAXID9606 http://rdf.ncbi.nlm.nih.gov/pubchem/taxonomy/TAXID97234 http://rdf.ncbi.nlm.nih.gov/pubchem/taxonomy/TAXID94328
identifier	94378
connectivity_smiles	CCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC
covalent_unit_count	1^^<http://www.w3.org/2001/XMLSchema#integer>
defined_atom_stereo_count	0^^<http://www.w3.org/2001/XMLSchema#integer>
defined_bond_stereo_count	0^^<http://www.w3.org/2001/XMLSchema#integer>
exact_mass	278.18819469^^<http://www.w3.org/2001/XMLSchema#decimal>
hydrogen_bond_acceptor_count	3^^<http://www.w3.org/2001/XMLSchema#integer>
hydrogen_bond_donor_count	1^^<http://www.w3.org/2001/XMLSchema#integer>
inchikey	CZNLTCTYLMYLHL-UHFFFAOYSA-N
isotope_atom_count	0^^<http://www.w3.org/2001/XMLSchema#integer>
iupac_inchi	InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3
molecular_formula	C17H26O3
molecular_weight	278.4^^<http://www.w3.org/2001/XMLSchema#decimal>
mono_isotopic_weight	278.18819469^^<http://www.w3.org/2001/XMLSchema#decimal>
non_hydrogen_atom_count	20^^<http://www.w3.org/2001/XMLSchema#integer>
preferred_iupac_name	1-(4-hydroxy-3-methoxyphenyl)decan-3-one
rotatable_bond_count	10^^<http://www.w3.org/2001/XMLSchema#integer>
smiles	CCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC
structure_complexity	265^^<http://www.w3.org/2001/XMLSchema#decimal>
total_formal_charge	0^^<http://www.w3.org/2001/XMLSchema#integer>
tpsa	46.5^^<http://www.w3.org/2001/XMLSchema#decimal>
undefined_atom_stereo_count	0^^<http://www.w3.org/2001/XMLSchema#integer>
undefined_bond_stereo_count	0^^<http://www.w3.org/2001/XMLSchema#integer>
xlogp3	3.8^^<http://www.w3.org/2001/XMLSchema#decimal>
is isotopologue of	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID169445327
has attribute	http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Total_Formal_Charge http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Undefined_Atom_Stereo_Count http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Undefined_Bond_Stereo_Count http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_XLogP3 http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Rotatable_Bond_Count http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_SMILES http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Structure_Complexity http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_TPSA http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Defined_Atom_Stereo_Count http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Defined_Bond_Stereo_Count http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Exact_Mass http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Hydrogen_Bond_Acceptor_Count http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Compound_Identifier http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Connectivity_SMILES http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Covalent_Unit_Count http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Molecular_Weight http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Mono_Isotopic_Weight http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Non-Hydrogen_Atom_Count http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Preferred_IUPAC_Name http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Hydrogen_Bond_Donor_Count http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_IUPAC_InChI http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Isotope_Atom_Count http://rdf.ncbi.nlm.nih.gov/pubchem/descriptor/CID94378_Molecular_Formula
type	http://purl.obolibrary.org/obo/CHEBI_10137 http://rdf.ncbi.nlm.nih.gov/pubchem/vocabulary#Compound
seeAlso	http://www.wikidata.org/entity/Q3363309
prefLabel	Paradol

Incoming Links

Predicate	Subject
has_parent	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID161159484
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