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CHEBI:144065 - isoskyrin

ChEBI IDCHEBI:144065
ChEBI Nameisoskyrin
Stars
DefinitionA member of the class of bianthracenes resulting from the oxidative dimerisation of emodin between position 4 of one molecule and position 5 of the other.
Last Modified4 February 2020
Submittermwilliams
DownloadsMolfile
FormulaC30H18O10
Net Charge0
Average Mass538.464
Monoisotopic Mass538.09000
SMILESCc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(C)cc(O)c3c1C(=O)c1cc(O)cc(O)c1C3=O)C2=O
InChIInChI=1S/C30H18O10/c1-9-3-12-20(14(32)4-9)29(39)24-18(36)8-17(35)22(26(24)27(12)37)19-10(2)5-15(33)23-25(19)28(38)13-6-11(31)7-16(34)21(13)30(23)40/h3-8,31-36H,1-2H3
InChIKeyZYHXFTQSOKDEDR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isoskyrin (CHEBI:144065) has functional parent emodin (CHEBI:42223)
isoskyrin (CHEBI:144065) is a bianthracenes (CHEBI:145988)
IUPAC Name 
2,4,4',5,5',7'-hexahydroxy-2',7-dimethyl[1,1'-bianthracene]-9,9',10,10'-tetrone
Synonym  Source
2,4,4',5,5',7'-hexahydroxy-2',7-dimethyl-1,1'-bianthraquinoneChEBI
Citations