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CHEBI:215985 - Xanthorin 8-O-beta-D-gentiobioside

ChEBI IDCHEBI:215985
ChEBI NameXanthorin 8-O-beta-D-gentiobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O16
Net Charge0
Average Mass624.548
Monoisotopic Mass624.16903
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(c1O)C(=O)c1cc(C)cc(O)c1C2=O
InChIInChI=1S/C28H32O16/c1-8-3-9-15(10(30)4-8)22(35)16-11(5-12(40-2)19(32)17(16)18(9)31)42-28-26(39)24(37)21(34)14(44-28)7-41-27-25(38)23(36)20(33)13(6-29)43-27/h3-5,13-14,20-21,23-30,32-34,36-39H,6-7H2,1-2H3/t13-,14-,20-,21-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKeyVYNRRWAXYMAKIF-RSGKIRSSSA-N
Species of MetaboliteComponentSourceComments
Cortinarius persplendidus (ncbitaxon:742022) - DOI (10.1071/ch99176)
ChEBI Ontology
Outgoing Relation(s)
Xanthorin 8-O-beta-D-gentiobioside (CHEBI:215985) is a anthraquinone (CHEBI:22580)
IUPAC Name 
1,5-dihydroxy-2-methoxy-7-methyl-4-[(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
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