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CHEBI:228843 - 5-O-Methylvisammioside

ChEBI IDCHEBI:228843
ChEBI Name5-O-Methylvisammioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O10
Net Charge0
Average Mass452.456
Monoisotopic Mass452.16825
SMILES[H][C@@]1(C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2c(cc3oc(C)cc(=O)c3c2OC)O1
InChIInChI=1S/C22H28O10/c1-9-5-11(24)16-13(29-9)7-12-10(20(16)28-4)6-15(30-12)22(2,3)32-21-19(27)18(26)17(25)14(8-23)31-21/h5,7,14-15,17-19,21,23,25-27H,6,8H2,1-4H3/t14-,15+,17-,18+,19-,21+/m1/s1
InChIKeyQVGFPTYGKPLXPK-OOBAEQHESA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
5-O-Methylvisammioside (CHEBI:228843) is a organic heterotricyclic compound (CHEBI:26979)
5-O-Methylvisammioside (CHEBI:228843) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2S)-4-methoxy-7-methyl-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrouro[3,2-g]chromen-5-one
Manual XrefsDatabases
10278668ChemSpider