CHEBI:93975 - (3S,3'S,4'R,6'S,8'R,8'aR)-6'-[2-(2-hydroxyethoxy)phenyl]-8'-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3S,3'S,4'R,6'S,8'R,8'aR)-6'-[2-(2-hydroxyethoxy)phenyl]-8'-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione
ChEBI ID CHEBI:93975
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C43H40N6O6
Net Charge 0
Average Mass 736.816
Monoisotopic Mass 736.30093
InChI InChI=1S/C43H40N6O6/c50-26-27-54-33-19-10-7-16-30(33)38-43(31-17-8-9-18-32(31)46-41(43)53)34(39(51)47-22-24-48(25-23-47)42-44-20-11-21-45-42)36-40(52)55-37(29-14-5-2-6-15-29)35(49(36)38)28-12-3-1-4-13-28/h1-21,34-38,50H,22-27H2,(H,46,53)/t34-,35-,36-,37+,38+,43-/m1/s1
InChIKey SEAZVQTXRQGRFP-OKZLZZNTSA-N
SMILES C1CN(CCN1C2=NC=CC=N2)C(=O)[C@H]3[C@@H]4C(=O)O[C@H]([C@H](N4[C@H]([C@@]35C6=CC=CC=C6NC5=O)C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9
ChEBI Ontology
Outgoing (3S,3'S,4'R,6'S,8'R,8'aR)-6'-[2-(2-hydroxyethoxy)phenyl]-8'-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione (CHEBI:93975) is a stilbenoid (CHEBI:26776)
Manual Xref Database
LSM-4560 LINCS
View more database links
Last Modified
03 March 2016