EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192924 - Alternanthin

ChEBI IDCHEBI:192924
ChEBI NameAlternanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O9
Net Charge0
Average Mass430.409
Monoisotopic Mass430.12638
SMILES[H][C@@]1(c2c(O)cc3oc(-c4ccc(O)c(OC)c4)cc(=O)c3c2O)CC(O)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C22H22O9/c1-9-21(27)14(26)8-17(30-9)19-13(25)7-18-20(22(19)28)12(24)6-15(31-18)10-3-4-11(23)16(5-10)29-2/h3-7,9,14,17,21,23,25-28H,8H2,1-2H3/t9-,14?,17+,21-/m1/s1
InChIKeyZRNTZPKUNIPEAL-YHAWUTMOSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Alternanthin (CHEBI:192924) is a C-glycosyl compound (CHEBI:20857)
Alternanthin (CHEBI:192924) is a flavonoids (CHEBI:72544)
IUPAC Name 
6-[(2S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12110740LIPID MAPS
24843763ChemSpider