EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178245 - 3'-Angeloyloxy-4',6'-dihydroxy-2',5'-dimethoxychalcone

ChEBI IDCHEBI:178245
ChEBI Name3'-Angeloyloxy-4',6'-dihydroxy-2',5'-dimethoxychalcone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O7
Net Charge0
Average Mass398.411
Monoisotopic Mass398.13655
SMILESC/C=C(/C)C(=O)Oc1c(O)c(OC)c(O)c(C(=O)/C=C/c2ccccc2)c1OC
InChIInChI=1S/C22H22O7/c1-5-13(2)22(26)29-21-18(25)20(28-4)17(24)16(19(21)27-3)15(23)12-11-14-9-7-6-8-10-14/h5-12,24-25H,1-4H3/b12-11+,13-5-
InChIKeyVAKBZJXPGKSDQT-BDVHTTMESA-N
ChEBI Ontology
Outgoing Relation(s)
3'-Angeloyloxy-4',6'-dihydroxy-2',5'-dimethoxychalcone (CHEBI:178245) is a chalcones (CHEBI:23086)
IUPAC Name 
[2,4-dihydroxy-3,6-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
24846022ChemSpider
LMPK12120356LIPID MAPS