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CHEBI:94029 - 2-[3-[(3R,3'R,4'S,6'R,8'S,8'aS)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-8'-[oxo-(prop-2-enylamino)methyl]-3',4'-diphenyl-5-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]yl]prop-2-ynyl]propanedioic acid dimethyl ester

ChEBI IDCHEBI:94029
ChEBI Name2-[3-[(3R,3'R,4'S,6'R,8'S,8'aS)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-8'-[oxo-(prop-2-enylamino)methyl]-3',4'-diphenyl-5-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]yl]prop-2-ynyl]propanedioic acid dimethyl ester
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC46H43N3O10
Net Charge0
Average Mass797.861
Monoisotopic Mass797.29484
SMILESC=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)Nc1ccc(C#CCC(C(=O)OC)C(=O)OC)cc12
InChIInChI=1S/C46H43N3O10/c1-4-24-47-41(51)36-38-44(54)59-39(30-17-9-6-10-18-30)37(29-15-7-5-8-16-29)49(38)40(31-19-11-12-21-35(31)58-26-25-50)46(36)33-27-28(22-23-34(33)48-45(46)55)14-13-20-32(42(52)56-2)43(53)57-3/h4-12,15-19,21-23,27,32,36-40,50H,1,20,24-26H2,2-3H3,(H,47,51)(H,48,55)/t36-,37-,38-,39+,40+,46-/m0/s1
InChIKeyUKEFKMJMFRIXER-YPLGXPHSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[3-[(3R,3'R,4'S,6'R,8'S,8'aS)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-8'-[oxo-(prop-2-enylamino)methyl]-3',4'-diphenyl-5-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]yl]prop-2-ynyl]propanedioic acid dimethyl ester (CHEBI:94029) is a stilbenoid (CHEBI:26776)
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