2-[3-[(3S,3'S,4'R,6'S,8'R,8'aR)-8'-[1-azocanyl(oxo)methyl]-6'-[2-(2-hydroxyethoxy)phenyl]-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:125234)

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CHEBI:125234 - 2-[3-[(3S,3'S,4'R,6'S,8'R,8'aR)-8'-[1-azocanyl(oxo)methyl]-6'-[2-(2-hydroxyethoxy)phenyl]-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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ChEBI ID	CHEBI:125234
ChEBI Name	2-[3-[(3S,3'S,4'R,6'S,8'R,8'aR)-8'-[1-azocanyl(oxo)methyl]-6'-[2-(2-hydroxyethoxy)phenyl]-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 Modified	3 March 2016
Downloads	Molfile

Formula	C50H51N3O10
Net Charge	0
Average Mass	853.969
Monoisotopic Mass	853.35744
SMILES	COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccccc2OCCO)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCCCCCC1)C(=O)OC
InChI	InChI=1S/C50H51N3O10/c1-60-46(56)36(47(57)61-2)23-16-17-32-25-26-38-37(31-32)50(49(59)51-38)40(45(55)52-27-14-4-3-5-15-28-52)42-48(58)63-43(34-20-10-7-11-21-34)41(33-18-8-6-9-19-33)53(42)44(50)35-22-12-13-24-39(35)62-30-29-54/h6-13,18-22,24-26,31,36,40-44,54H,3-5,14-15,23,27-30H2,1-2H3,(H,51,59)/t40-,41-,42-,43+,44+,50-/m1/s1
InChIKey	HWBLKGXNEXHVTK-OJWWOZJMSA-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'-[2-(2-hydroxyethoxy)phenyl]-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:125234) is a stilbenoid (CHEBI:26776)

Manual Xrefs	Databases
LSM-36702	LINCS