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CHEBI:184879 - 2,4,4',5,5'-Pentahydroxy-7,7'-dimethyl-2'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9H,9'H,10H,10'H-[1,1'-bianthracene]-9,9',10,10'-tetrone

ChEBI IDCHEBI:184879
ChEBI Name2,4,4',5,5'-Pentahydroxy-7,7'-dimethyl-2'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9H,9'H,10H,10'H-[1,1'-bianthracene]-9,9',10,10'-tetrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H26O14
Net Charge0
Average Mass670.579
Monoisotopic Mass670.13226
SMILESCc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(OC3OCC(O)C(O)C3O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O
InChIInChI=1S/C35H26O14/c1-10-3-12-21(14(36)5-10)32(45)24-17(39)7-16(38)23(27(24)29(12)42)26-20(49-35-34(47)31(44)19(41)9-48-35)8-18(40)25-28(26)30(43)13-4-11(2)6-15(37)22(13)33(25)46/h3-8,19,31,34-41,44,47H,9H2,1-2H3
InChIKeyRTWSMOOOURBUSZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
2,4,4',5,5'-Pentahydroxy-7,7'-dimethyl-2'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9H,9'H,10H,10'H-[1,1'-bianthracene]-9,9',10,10'-tetrone (CHEBI:184879) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
4,5-dihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)-2-(3,4,5-trihydroxyoxan-2-yl)oxyanthracene-9,10-dione
Manual XrefsDatabases
74886454ChemSpider
HMDB0036319HMDB