CHEBI:94148 - (3S,3'S,4'R,6'S,8'R,8'aR)-5-[2-(1-hydroxycycloheptyl)ethynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3S,3'S,4'R,6'S,8'R,8'aR)-5-[2-(1-hydroxycycloheptyl)ethynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide
ChEBI ID CHEBI:94148
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C44H43N3O7
Net Charge 0
Average Mass 725.830
Monoisotopic Mass 725.31010
InChI InChI=1S/C44H43N3O7/c45-40(49)35-37-41(50)54-38(30-13-7-4-8-14-30)36(29-11-5-3-6-12-29)47(37)39(31-16-18-32(19-17-31)53-26-25-48)44(35)33-27-28(15-20-34(33)46-42(44)51)21-24-43(52)22-9-1-2-10-23-43/h3-8,11-20,27,35-39,48,52H,1-2,9-10,22-23,25-26H2,(H2,45,49)(H,46,51)/t35-,36-,37-,38+,39+,44-/m1/s1
InChIKey ADMHUAXYRSOXQM-DRVGFJBOSA-N
SMILES C1CCCC(CC1)(C#CC2=CC3=C(C=C2)NC(=O)[C@@]34[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N)O
ChEBI Ontology
Outgoing (3S,3'S,4'R,6'S,8'R,8'aR)-5-[2-(1-hydroxycycloheptyl)ethynyl]-6'-[4-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenyl-8'-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide (CHEBI:94148) is a stilbenoid (CHEBI:26776)
Manual Xref Database
LSM-4762 LINCS
View more database links
Last Modified
03 March 2016