probetaenone I
Go to external page
http://purl.obolibrary.org/obo/CHEBI_145062
Term info
Label
probetaenone I
Synonyms
- probetaenone I
Subsets
2_STAR
charge
0
formula
C21H36O2
has obo namespace
chebi_ontology
id
CHEBI:145062
inchi
InChI=1S/C21H36O2/c1-7-14(3)19-16(5)12-17-11-13(2)10-15(4)20(17)21(19,6)18(23)8-9-22/h12-15,17,19-20,22H,7-11H2,1-6H3/t13-,14+,15+,17+,19-,20-,21-/m0/s1
inchikey
CWVNYXDUEQFYMM-YDGZXZOGSA-N
mass
320.517
monoisotopicmass
320.27153
smiles
[C@]1([C@H](C(=C[C@@]2([C@@]1([C@@H](C[C@@H](C2)C)C)[H])[H])C)[C@@H](CC)C)(C(=O)CCO)C