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CHEBI:125244 - 2-[3-[(3S,3'S,4'R,6'S,8'R,8'aR)-8'-[1-azocanyl(oxo)methyl]-6'-(4-hydroxyphenyl)-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:125244
ChEBI Name2-[3-[(3S,3'S,4'R,6'S,8'R,8'aR)-8'-[1-azocanyl(oxo)methyl]-6'-(4-hydroxyphenyl)-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
FormulaC48H47N3O9
Net Charge0
Average Mass809.916
Monoisotopic Mass809.33123
SMILESCOC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccc(O)cc2)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCCCCCC1)C(=O)OC
InChIInChI=1S/C48H47N3O9/c1-58-44(54)35(45(55)59-2)20-14-15-30-21-26-37-36(29-30)48(47(57)49-37)38(43(53)50-27-12-4-3-5-13-28-50)40-46(56)60-41(32-18-10-7-11-19-32)39(31-16-8-6-9-17-31)51(40)42(48)33-22-24-34(52)25-23-33/h6-11,16-19,21-26,29,35,38-42,52H,3-5,12-13,20,27-28H2,1-2H3,(H,49,57)/t38-,39-,40-,41+,42+,48-/m1/s1
InChIKeyNGENCNGNGJCCLE-QTVBDKOQSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[3-[(3S,3'S,4'R,6'S,8'R,8'aR)-8'-[1-azocanyl(oxo)methyl]-6'-(4-hydroxyphenyl)-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:125244) is a stilbenoid (CHEBI:26776)
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