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CHEBI:200235 - Xylanthraquinone

ChEBI IDCHEBI:200235
ChEBI NameXylanthraquinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O7
Net Charge0
Average Mass324.329
Monoisotopic Mass324.12090
SMILESCOc1cc(O)c2c(c1O)C(O)C1C[C@](C)(O)[C@H](O)CC1C2=O
InChIInChI=1S/C16H20O7/c1-16(22)5-7-6(3-10(16)18)13(19)11-8(17)4-9(23-2)15(21)12(11)14(7)20/h4,6-7,10,14,17-18,20-22H,3,5H2,1-2H3/t6?,7?,10-,14?,16+/m1/s1
InChIKeyLNMXRONIHUOFQM-QRMLNPGMSA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies 2508 (ncbitaxon:598750) - PubMed (24205843)
ChEBI Ontology
Outgoing Relation(s)
Xylanthraquinone (CHEBI:200235) is a anthracenes (CHEBI:46955)
IUPAC Name 
(2R,3S)-2,3,5,8,10-pentahydroxy-6-methoxy-3-methyl-1,2,4,4a,9a,10-hexahydroanthracen-9-one
Manual XrefsDatabases
78445054ChemSpider