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CHEBI:125220 - (3R,4S,6R,7R,8S,8aS)-8-carbamoyl-5'-[2-(1-cyclohexenyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-1'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]carboxylic acid 2-methoxyethyl ester

ChEBI IDCHEBI:125220
ChEBI Name(3R,4S,6R,7R,8S,8aS)-8-carbamoyl-5'-[2-(1-cyclohexenyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-1'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]carboxylic acid 2-methoxyethyl ester
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC47H45N3O9
Net Charge0
Average Mass795.889
Monoisotopic Mass795.31558
SMILESCOCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](C(N)=O)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO
InChIInChI=1S/C47H45N3O9/c1-56-27-28-58-46(55)49-36-24-23-31(22-21-30-13-5-2-6-14-30)29-35(36)47(45(49)54)38(43(48)52)40-44(53)59-41(33-17-9-4-10-18-33)39(32-15-7-3-8-16-32)50(40)42(47)34-19-11-12-20-37(34)57-26-25-51/h3-4,7-13,15-20,23-24,29,38-42,51H,2,5-6,14,25-28H2,1H3,(H2,48,52)/t38-,39-,40-,41+,42+,47-/m0/s1
InChIKeyPVRHXCBEYGWIEF-AEWJWUJOSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4S,6R,7R,8S,8aS)-8-carbamoyl-5'-[2-(1-cyclohexenyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-1'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]carboxylic acid 2-methoxyethyl ester (CHEBI:125220) is a stilbenoid (CHEBI:26776)
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