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CHEBI:125245 - (3S,3'S,4'R,6'S,8'R,8'aR)-6'-[4-[2-[[(3S,6R,7S,8aS)-6-(4-hydroxyphenyl)-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethoxy]ethoxy]phenyl]-1',2-dioxo-3',4'-diphenyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxylic acid prop-2-enyl ester

ChEBI IDCHEBI:125245
ChEBI Name(3S,3'S,4'R,6'S,8'R,8'aR)-6'-[4-[2-[[(3S,6R,7S,8aS)-6-(4-hydroxyphenyl)-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethoxy]ethoxy]phenyl]-1',2-dioxo-3',4'-diphenyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxylic acid prop-2-enyl ester
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC56H54N4O11
Net Charge0
Average Mass959.065
Monoisotopic Mass958.37891
SMILESC=CCOC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCOC(=O)[C@H]3C[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)N4[C@H]3c3ccc(O)cc3)cc2)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C56H54N4O11/c1-4-27-69-53(65)44-47-54(66)71-48(35-15-9-6-10-16-35)46(33-13-7-5-8-14-33)60(47)49(56(44)40-17-11-12-18-41(40)58-55(56)67)36-21-25-38(26-22-36)68-28-29-70-52(64)39-31-43-50(62)57-42(30-32(2)3)51(63)59(43)45(39)34-19-23-37(61)24-20-34/h4-26,32,39,42-49,61H,1,27-31H2,2-3H3,(H,57,62)(H,58,67)/t39-,42-,43-,44+,45-,46+,47+,48-,49-,56+/m0/s1
InChIKeyRPKCAYXMKKKHRF-QNUKHDGTSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,3'S,4'R,6'S,8'R,8'aR)-6'-[4-[2-[[(3S,6R,7S,8aS)-6-(4-hydroxyphenyl)-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethoxy]ethoxy]phenyl]-1',2-dioxo-3',4'-diphenyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxylic acid prop-2-enyl ester (CHEBI:125245) is a stilbenoid (CHEBI:26776)
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