EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181150 - [4,5-Diacetyloxy-6-[7-hydroxy-5-methoxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]oxan-3-yl] acetate

ChEBI IDCHEBI:181150
ChEBI Name[4,5-Diacetyloxy-6-[7-hydroxy-5-methoxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]oxan-3-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H36O17
Net Charge0
Average Mass704.634
Monoisotopic Mass704.19525
SMILESCOc1c(C2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(O)cc2oc(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)cc(=O)c12
InChIInChI=1S/C33H36O17/c1-13(35)45-23-12-44-31(32(47-15(3)37)29(23)46-14(2)36)25-19(39)10-21-24(30(25)43-4)18(38)9-20(49-21)16-5-7-17(8-6-16)48-33-28(42)27(41)26(40)22(11-34)50-33/h5-10,22-23,26-29,31-34,39-42H,11-12H2,1-4H3
InChIKeyUPTPSJJNEWBOBD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[4,5-Diacetyloxy-6-[7-hydroxy-5-methoxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]oxan-3-yl] acetate (CHEBI:181150) is a flavonoids (CHEBI:72544)
[4,5-Diacetyloxy-6-[7-hydroxy-5-methoxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]oxan-3-yl] acetate (CHEBI:181150) is a glycoside (CHEBI:24400)
IUPAC Name 
[4,5-diacetyloxy-6-[7-hydroxy-5-methoxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]oxan-3-yl] acetate
Manual XrefsDatabases
22370138ChemSpider