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CHEBI:93995 - (3R,3'R,4'S,6'R,8'S,8'aS)-8'-[1-azocanyl(oxo)methyl]-5-[2-(1-cyclohexenyl)ethynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-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:93995
ChEBI Name(3R,3'R,4'S,6'R,8'S,8'aS)-8'-[1-azocanyl(oxo)methyl]-5-[2-(1-cyclohexenyl)ethynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione
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Last Modified3 March 2016
DownloadsMolfile
FormulaC50H51N3O6
Net Charge0
Average Mass789.973
Monoisotopic Mass789.37779
SMILESO=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCCCCCC1)[C@]1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)[C@H]2c1ccc(OCCO)cc1
InChIInChI=1S/C50H51N3O6/c54-31-32-58-39-26-24-38(25-27-39)46-50(40-33-35(23-28-41(40)51-49(50)57)22-21-34-15-7-4-8-16-34)42(47(55)52-29-13-2-1-3-14-30-52)44-48(56)59-45(37-19-11-6-12-20-37)43(53(44)46)36-17-9-5-10-18-36/h5-6,9-12,15,17-20,23-28,33,42-46,54H,1-4,7-8,13-14,16,29-32H2,(H,51,57)/t42-,43-,44-,45+,46+,50-/m0/s1
InChIKeyUWJNEXMFWQHPDA-UOGMBTEBSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,3'R,4'S,6'R,8'S,8'aS)-8'-[1-azocanyl(oxo)methyl]-5-[2-(1-cyclohexenyl)ethynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione (CHEBI:93995) is a stilbenoid (CHEBI:26776)
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