CHEBI:3344 - Canaliculatol

ChEBI IDCHEBI:3344
ChEBI NameCanaliculatol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC42H32O9
Net Charge0
Average Mass680.709
Monoisotopic Mass680.20463
SMILES[H][C@@]12c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@]3([H])c4cc(O)cc(O)c4[C@@H](c4ccc(O)cc4)[C@@]3([H])c3cc(O)cc(c31)O[C@H]2c1ccc(O)cc1
InChIInChI=1S/C42H32O9/c43-22-7-1-19(2-8-22)34-36-28(13-25(46)16-31(36)49)39-35(20-3-9-23(44)10-4-20)37-29(14-26(47)17-32(37)50)41-38-30(40(34)39)15-27(48)18-33(38)51-42(41)21-5-11-24(45)12-6-21/h1-18,34-35,39-50H/t34-,35-,39+,40-,41-,42+/m1/s1
InChIKeyUXHSAOFTHSNXMK-KJEVTLEKSA-N
ChEBI Ontology
Outgoing Relation(s)
Canaliculatol (CHEBI:3344) is a benzofurans (CHEBI:35259)
Synonym  Source
CanaliculatolKEGG COMPOUND
Manual XrefsDatabases
C10249KEGG COMPOUND
C00002873KNApSAcK
Registry NumbersSources
CAS:114488-83-4KEGG COMPOUND