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CHEBI:205129 - Austrocortinin 8-O-beta-D-gentiobioside

Default Structure
ChEBI IDCHEBI:205129
ChEBI NameAustrocortinin 8-O-beta-D-gentiobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O15
Net Charge0
Average Mass608.549
Monoisotopic Mass608.17412
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)ccc1C2=O
InChIInChI=1S/C28H32O15/c1-9-3-4-10-11(5-9)19(31)17-16(18(10)30)12(6-13(39-2)20(17)32)41-28-26(38)24(36)22(34)15(43-28)8-40-27-25(37)23(35)21(33)14(7-29)42-27/h3-6,14-15,21-29,32-38H,7-8H2,1-2H3/t14-,15-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKeyDNXGNXLLMIDINP-VISGYLFTSA-N
Species of MetaboliteComponentSourceComments
Cortinarius persplendidus (ncbitaxon:742022) - DOI (10.1071/ch99176)
ChEBI Ontology
Outgoing Relation(s)
Austrocortinin 8-O-beta-D-gentiobioside (CHEBI:205129) is a anthraquinone (CHEBI:22580)
IUPAC Name 
1-hydroxy-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
Manual XrefsDatabases
78440212ChemSpider