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CHEBI:197554 - 3-methyl xanthopurpurin 6-O-methyl ether 8-O-beta-D-gentiobioside

ChEBI IDCHEBI:197554
ChEBI Name3-methyl xanthopurpurin 6-O-methyl ether 8-O-beta-D-gentiobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O14
Net Charge0
Average Mass592.550
Monoisotopic Mass592.17921
SMILESCOc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(C)ccc1C2=O
InChIInChI=1S/C28H32O14/c1-10-3-4-12-13(5-10)19(30)14-6-11(38-2)7-15(18(14)20(12)31)40-28-26(37)24(35)22(33)17(42-28)9-39-27-25(36)23(34)21(32)16(8-29)41-27/h3-7,16-17,21-29,32-37H,8-9H2,1-2H3/t16-,17-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKeyBYQBIXFFVFHQMA-ULFSRCLISA-N
Species of MetaboliteComponentSourceComments
Cortinarius persplendidus (ncbitaxon:742022) - DOI (10.1071/ch99176)
ChEBI Ontology
Outgoing Relation(s)
3-methyl xanthopurpurin 6-O-methyl ether 8-O-beta-D-gentiobioside (CHEBI:197554) is a anthraquinone (CHEBI:22580)
IUPAC Name 
3-methoxy-6-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
Manual XrefsDatabases
78439977ChemSpider