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CHEBI:94007 - 2-[3-[(3R,3'R,4'S,6'R,8'S,8'aS)-6'-[2-(2-hydroxyethoxy)phenyl]-8'-[[[(2R)-2-hydroxy-2-phenylethyl]amino]-oxomethyl]-1',2-dioxo-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:94007
ChEBI Name2-[3-[(3R,3'R,4'S,6'R,8'S,8'aS)-6'-[2-(2-hydroxyethoxy)phenyl]-8'-[[[(2R)-2-hydroxy-2-phenylethyl]amino]-oxomethyl]-1',2-dioxo-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
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Last Modified3 March 2016
DownloadsMolfile
FormulaC51H47N3O11
Net Charge0
Average Mass877.947
Monoisotopic Mass877.32106
SMILESCOC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)NC[C@H](O)c2ccccc2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1OCCO)C(=O)OC
InChIInChI=1S/C51H47N3O11/c1-62-47(58)36(48(59)63-2)23-14-15-31-25-26-38-37(29-31)51(50(61)53-38)41(46(57)52-30-39(56)32-16-6-3-7-17-32)43-49(60)65-44(34-20-10-5-11-21-34)42(33-18-8-4-9-19-33)54(43)45(51)35-22-12-13-24-40(35)64-28-27-55/h3-13,16-22,24-26,29,36,39,41-45,55-56H,23,27-28,30H2,1-2H3,(H,52,57)(H,53,61)/t39-,41-,42-,43-,44+,45+,51-/m0/s1
InChIKeyKEZALDIRBVRQLC-XVLJERORSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[3-[(3R,3'R,4'S,6'R,8'S,8'aS)-6'-[2-(2-hydroxyethoxy)phenyl]-8'-[[[(2R)-2-hydroxy-2-phenylethyl]amino]-oxomethyl]-1',2-dioxo-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:94007) is a stilbenoid (CHEBI:26776)
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