EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91850 - N-[7-[5-[7-(2,4-dioxo-1H-pyridin-3-ylidene)-7-hydroxy-6-methylhepta-1,3,5-trienyl]-3,4-dihydroxy-2-oxolanyl]-6-methoxy-5-methylocta-2,4-dienyl]-2-(2,3,4-trihydroxy-5,5-dimethyl-6-penta-1,3-dienyl-2-oxanyl)butanamide

ChEBI IDCHEBI:91850
ChEBI NameN-[7-[5-[7-(2,4-dioxo-1H-pyridin-3-ylidene)-7-hydroxy-6-methylhepta-1,3,5-trienyl]-3,4-dihydroxy-2-oxolanyl]-6-methoxy-5-methylocta-2,4-dienyl]-2-(2,3,4-trihydroxy-5,5-dimethyl-6-penta-1,3-dienyl-2-oxanyl)butanamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC43H60N2O12
Net Charge0
Average Mass796.955
Monoisotopic Mass796.41463
SMILESCC=CC=CC1OC(O)(C(CC)C(=O)NCC=CC=C(C)C(OC)C(C)C2OC(C=CC=CC=C(C)C(O)=C3C(=O)C=CNC3=O)C(O)C2O)C(O)C(O)C1(C)C
InChIInChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,47-51,54H,10,23H2,1-8H3,(H,44,52)(H,45,53)
InChIKeyLWXUPCAADQWXRE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[7-[5-[7-(2,4-dioxo-1H-pyridin-3-ylidene)-7-hydroxy-6-methylhepta-1,3,5-trienyl]-3,4-dihydroxy-2-oxolanyl]-6-methoxy-5-methylocta-2,4-dienyl]-2-(2,3,4-trihydroxy-5,5-dimethyl-6-penta-1,3-dienyl-2-oxanyl)butanamide (CHEBI:91850) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-1772LINCS