CHEBI:182545 - (2'S,3R,5'S,6'R,8'S,11'R)-2'-Ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one

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ChEBI Name (2'S,3R,5'S,6'R,8'S,11'R)-2'-Ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
ChEBI ID CHEBI:182545
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H22N2O2
Net Charge 0
Average Mass 322.408
Monoisotopic Mass 322.16813
InChI InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13?,15+,16-,17-,19+,20-/m1/s1
InChIKey NFYYATWFXNPTRM-INFAKVQNSA-N
SMILES O1[C@@]2([C@@]3([C@]4([C@@]5(C([C@]([C@]4(N(C5)C)[H])(C1)[H])C2)C=C)[H])C=6C(NC3=O)=CC=CC6)[H]
ChEBI Ontology
Outgoing (2'S,3R,5'S,6'R,8'S,11'R)-2'-Ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one (CHEBI:182545) is a indoles (CHEBI:24828)
IUPAC Name
(2'S,3R,5'S,6'R,8'S,11'R)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
Manual Xref Database
78431533 ChemSpider
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