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CHEBI:221370 - (+)-3,3′,7,7′,8,8′-hexahydroxy-5,5′-dimethylbianthraquinone (2240A)

ChEBI IDCHEBI:221370
ChEBI Name(+)-3,3′,7,7′,8,8′-hexahydroxy-5,5′-dimethylbianthraquinone (2240A)
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SubmitterMetaboLights
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FormulaC30H18O10
Net Charge0
Average Mass538.464
Monoisotopic Mass538.09000
SMILESCc1cc(O)c2c(c1)C(=O)c1c(O)cc(-c3cc(O)c4c(c3O)C(=O)c3c(O)cc(C)cc3C4=O)c(O)c1C2=O
InChIInChI=1S/C30H18O10/c1-9-3-13-19(15(31)5-9)29(39)23-21(27(13)37)17(33)7-11(25(23)35)12-8-18(34)22-24(26(12)36)30(40)20-14(28(22)38)4-10(2)6-16(20)32/h3-8,31-36H,1-2H3
InChIKeyDKXPWAFWWZUGHN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-3,3′,7,7′,8,8′-hexahydroxy-5,5′-dimethylbianthraquinone (2240A) (CHEBI:221370) is a anthraquinone (CHEBI:22580)
IUPAC Name 
1,4,8-trihydroxy-6-methyl-2-(1,4,8-trihydroxy-6-methyl-9,10-dioxoanthracen-2-yl)anthracene-9,10-dione
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