InCHi String:
InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
isomeric SMILES: CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid
PubChem Substance (SID):
85165342 10321438 56314565PubChem Compound (CID):
444795KEGG: Compound ID
D00094CAS Registry IDs: 5300-03-8 302-79-4
PDB Chemical Component
REAMiscellaneous Databases and IDs:
Sigma-Aldrich R2625_SIGMA
ChEBI CHEBI:15367 ChemBank BSPBio_001500
HSDB 7186
ChemIDplus 005300038
Shanghai Institute of Organic Chemistry 1n4h
ChemSpider 13728944
MMDB 53830.2
CCRIS 7098
DTP/NCI 122758
NIST 2009898441
EPA DSSTox 54279
LipidMAPS LMPR01090019
PDSP Prestwick_424
NINDS Approved Drug Screening Program 01503119
NCGC NCGC00021808-15
MMCD cq_00524
MDL MFCD00001551
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
