EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:94124 - (3S,3'S,4'R,6'S,8'R,8'aR)-8'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-6'-(4-hydroxyphenyl)-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione

ChEBI IDCHEBI:94124
ChEBI Name(3S,3'S,4'R,6'S,8'R,8'aR)-8'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-6'-(4-hydroxyphenyl)-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC44H39N3O7
Net Charge0
Average Mass721.810
Monoisotopic Mass721.27880
SMILESCOc1cc2c(cc1OC)CN(C(=O)[C@H]1[C@@H]3C(=O)O[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3[C@@H](c3ccc(O)cc3)[C@]13C(=O)Nc1ccccc13)CC2
InChIInChI=1S/C44H39N3O7/c1-52-34-23-29-21-22-46(25-30(29)24-35(34)53-2)41(49)36-38-42(50)54-39(27-13-7-4-8-14-27)37(26-11-5-3-6-12-26)47(38)40(28-17-19-31(48)20-18-28)44(36)32-15-9-10-16-33(32)45-43(44)51/h3-20,23-24,36-40,48H,21-22,25H2,1-2H3,(H,45,51)/t36-,37-,38-,39+,40+,44-/m1/s1
InChIKeyXSLAKCDQFXHWHL-KTDJTCJASA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,3'S,4'R,6'S,8'R,8'aR)-8'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-6'-(4-hydroxyphenyl)-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione (CHEBI:94124) is a stilbenoid (CHEBI:26776)
Manual XrefsDatabases
LSM-4734LINCS