EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182736 - 8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

ChEBI IDCHEBI:182736
ChEBI Name8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O19
Net Charge0
Average Mass740.664
Monoisotopic Mass740.21638
SMILESCC1OC(OC2C(c3c(O)cc(OC4OC(CO)C(O)C(O)C4O)c4c(=O)cc(-c5ccc(O)cc5)oc34)OC(CO)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C33H40O19/c1-10-21(39)24(42)27(45)32(47-10)52-31-26(44)23(41)17(8-34)49-30(31)20-14(38)7-16(50-33-28(46)25(43)22(40)18(9-35)51-33)19-13(37)6-15(48-29(19)20)11-2-4-12(36)5-3-11/h2-7,10,17-18,21-28,30-36,38-46H,8-9H2,1H3
InChIKeySPWIYFDXMWFJMA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cucumis melo (ncbitaxon:3656) seed (BTO:0001226) MetaboLights (MTBLS2993)
ChEBI Ontology
Outgoing Relation(s)
8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one (CHEBI:182736) is a flavonoids (CHEBI:72544)
8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one (CHEBI:182736) is a glycoside (CHEBI:24400)
IUPAC Name 
8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
22370374ChemSpider