EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182117 - 4-[2-[5,8a-Dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one

ChEBI IDCHEBI:182117
ChEBI Name4-[2-[5,8a-Dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O8
Net Charge0
Average Mass480.598
Monoisotopic Mass480.27232
SMILESC=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CCC1=CCOC1=O
InChIInChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3
InChIKeyYGCYRQKJYWQXHG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[2-[5,8a-Dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one (CHEBI:182117) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
4-[2-[5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-uran-5-one
Manual XrefsDatabases
3851571ChemSpider