EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:94148 - (3S,3'S,4'R,6'S,8'R,8'aR)-5-[2-(1-hydroxycycloheptyl)ethynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide

ChEBI IDCHEBI:94148
ChEBI Name(3S,3'S,4'R,6'S,8'R,8'aR)-5-[2-(1-hydroxycycloheptyl)ethynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC44H43N3O7
Net Charge0
Average Mass725.842
Monoisotopic Mass725.31010
SMILESNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12
InChIInChI=1S/C44H43N3O7/c45-40(49)35-37-41(50)54-38(30-13-7-4-8-14-30)36(29-11-5-3-6-12-29)47(37)39(31-16-18-32(19-17-31)53-26-25-48)44(35)33-27-28(15-20-34(33)46-42(44)51)21-24-43(52)22-9-1-2-10-23-43/h3-8,11-20,27,35-39,48,52H,1-2,9-10,22-23,25-26H2,(H2,45,49)(H,46,51)/t35-,36-,37-,38+,39+,44-/m1/s1
InChIKeyADMHUAXYRSOXQM-DRVGFJBOSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,3'S,4'R,6'S,8'R,8'aR)-5-[2-(1-hydroxycycloheptyl)ethynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide (CHEBI:94148) is a stilbenoid (CHEBI:26776)
Manual XrefsDatabases
LSM-4762LINCS