EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192430 - Gossypetin 3-sophoroside-8-glucoside

ChEBI IDCHEBI:192430
ChEBI NameGossypetin 3-sophoroside-8-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O23
Net Charge0
Average Mass804.660
Monoisotopic Mass804.19604
SMILESO=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)cc(O)c12
InChIInChI=1S/C33H40O23/c34-5-13-17(41)21(45)24(48)31(50-13)54-27-12(40)4-11(39)16-20(44)29(26(53-28(16)27)8-1-2-9(37)10(38)3-8)55-33-30(23(47)19(43)15(7-36)52-33)56-32-25(49)22(46)18(42)14(6-35)51-32/h1-4,13-15,17-19,21-25,30-43,45-49H,5-7H2/t13?,14?,15?,17-,18-,19-,21+,22?,23?,24?,25-,30?,31+,32+,33+/m1/s1
InChIKeyLVSYCSMVGYSMTF-AHOIUCIESA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Gossypetin 3-sophoroside-8-glucoside (CHEBI:192430) is a flavonoids (CHEBI:72544)
Gossypetin 3-sophoroside-8-glucoside (CHEBI:192430) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12113182LIPID MAPS
24845713ChemSpider