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CHEBI:94086 - 2-[3-[(3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethoxy)phenyl]-1'-[2-methoxyethoxy(oxo)methyl]-1,2'-dioxo-8-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,4-diphenyl-5'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]yl]prop-2-ynyl]propanedioic acid dimethyl ester

ChEBI IDCHEBI:94086
ChEBI Name2-[3-[(3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethoxy)phenyl]-1'-[2-methoxyethoxy(oxo)methyl]-1,2'-dioxo-8-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,4-diphenyl-5'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]yl]prop-2-ynyl]propanedioic acid dimethyl ester
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC55H54N6O13
Net Charge0
Average Mass1007.066
Monoisotopic Mass1006.37489
SMILESCOCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCC(C(=O)OC)C(=O)OC)ccc31)[C@H](C(=O)N1CCN(c3ncccn3)CC1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO
InChIInChI=1S/C55H54N6O13/c1-69-32-33-73-54(68)60-41-23-22-35(14-12-20-39(49(64)70-2)50(65)71-3)34-40(41)55(52(60)67)43(48(63)58-26-28-59(29-27-58)53-56-24-13-25-57-53)45-51(66)74-46(37-17-8-5-9-18-37)44(36-15-6-4-7-16-36)61(45)47(55)38-19-10-11-21-42(38)72-31-30-62/h4-11,13,15-19,21-25,34,39,43-47,62H,20,26-33H2,1-3H3/t43-,44-,45-,46+,47+,55-/m0/s1
InChIKeyNMHFAXRTWCWMAY-NPTJWLTHSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[3-[(3R,4S,6R,7R,8S,8aS)-6-[2-(2-hydroxyethoxy)phenyl]-1'-[2-methoxyethoxy(oxo)methyl]-1,2'-dioxo-8-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,4-diphenyl-5'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]yl]prop-2-ynyl]propanedioic acid dimethyl ester (CHEBI:94086) is a stilbenoid (CHEBI:26776)
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