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

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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
ChEBI ID CHEBI:93995
Stars This entity has been manually annotated by a third party.
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Formula C50H51N3O6
Net Charge 0
Average Mass 789.958
Monoisotopic Mass 789.37779
InChI InChI=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
InChIKey UWJNEXMFWQHPDA-UOGMBTEBSA-N
SMILES C1CCCN(CCC1)C(=O)[C@@H]2[C@H]3C(=O)O[C@@H]([C@@H](N3[C@@H]([C@]24C5=C(C=CC(=C5)C#CC6=CCCCC6)NC4=O)C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9
ChEBI Ontology
Outgoing (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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Last Modified
03 March 2016