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CHEBI:176170 - Margaritene

Default Structure
ChEBI IDCHEBI:176170
ChEBI NameMargaritene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O14
Net Charge0
Average Mass592.550
Monoisotopic Mass592.17921
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)cc(-c4ccc(OC)cc4)oc23)OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]1OC(C)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3/t10?,17?,20-,21+,22-,23-,24?,26-,27?,28-/m0/s1
InChIKeyAOXGLIJSZLOQNZ-LMBVBGOFSA-N
ChEBI Ontology
Outgoing Relation(s)
Margaritene (CHEBI:176170) is a C-glycosyl compound (CHEBI:20857)
Margaritene (CHEBI:176170) is a flavonoids (CHEBI:72544)
IUPAC Name 
8-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
24843475ChemSpider
LMPK12110436LIPID MAPS