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CHEBI:4704 - Dothistromin

ChEBI IDCHEBI:4704
ChEBI NameDothistromin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H12O9
Net Charge0
Average Mass372.285
Monoisotopic Mass372.04813
SMILES[H][C@@]12Oc3cc4c(c(O)c3[C@]1(O)C[C@H](O)O2)C(=O)c1c(O)ccc(O)c1C4=O
InChIInChI=1S/C18H12O9/c19-6-1-2-7(20)12-11(6)14(22)5-3-8-13(16(24)10(5)15(12)23)18(25)4-9(21)27-17(18)26-8/h1-3,9,17,19-21,24-25H,4H2/t9-,17+,18-/m1/s1
InChIKeyFBPGRTYADYGYRG-AHBCHLHISA-N
ChEBI Ontology
Outgoing Relation(s)
Dothistromin (CHEBI:4704) is a anthraquinone (CHEBI:22580)
Synonym  Source
DothistrominKEGG COMPOUND
Manual XrefsDatabases
C10334KEGG COMPOUND
C00002817KNApSAcK
Registry NumbersSources
CAS:31456-72-1KEGG COMPOUND