EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:141501 - adonixanthin 3-glucoside

ChEBI IDCHEBI:141501
ChEBI Nameadonixanthin 3-glucoside
Stars
Last Modified24 July 2018
Submittermwilliams
DownloadsMolfile
FormulaC46H64O8
Net Charge0
Average Mass745.010
Monoisotopic Mass744.46012
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](OC3OC(CO)C(O)C(O)C3O)CC2(C)C)C(C)(C)C[C@H](O)C1
InChIInChI=1S/C46H64O8/c1-29(17-13-19-31(3)21-23-36-33(5)25-35(48)26-45(36,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)40(49)38(27-46(37,9)10)53-44-43(52)42(51)41(50)39(28-47)54-44/h11-24,35,38-39,41-44,47-48,50-52H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,38+,39?,41?,42?,43?,44?/m1/s1
InChIKeyLOISLDIJCYHBBP-NAGSEYDASA-N
ChEBI Ontology
Outgoing Relation(s)
adonixanthin 3-glucoside (CHEBI:141501) is a tetraterpene (CHEBI:35193)
IUPAC Name 
(3R,3'S)-3-hydroxy-4'-oxo-β,β-caroten-3'-yl hexopyranoside
Manual XrefsDatabases
LMPR01070017LIPID MAPS