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CHEBI:210536 - 6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-methoxyhexyl)anthracene-9,10-dione)

ChEBI IDCHEBI:210536
ChEBI Name6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-methoxyhexyl)anthracene-9,10-dione)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H42O13
Net Charge0
Average Mass754.785
Monoisotopic Mass754.26254
SMILESCCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(Oc3cc(O)c4c(c3)C(=O)c3cc(O)c([C@H](CCCCC)OC)c(O)c3C4=O)cc1C2=O
InChIInChI=1S/C42H42O13/c1-5-7-9-11-29(53-3)35-27(45)17-23-33(41(35)51)39(49)31-21(37(23)47)13-19(15-25(31)43)55-20-14-22-32(26(44)16-20)40(50)34-24(38(22)48)18-28(46)36(42(34)52)30(54-4)12-10-8-6-2/h13-18,29-30,43-46,51-52H,5-12H2,1-4H3/t29-,30-/m0/s1
InChIKeyFMTOONJSDWEQTN-KYJUHHDHSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (30543983)
ChEBI Ontology
Outgoing Relation(s)
6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-methoxyhexyl)anthracene-9,10-dione) (CHEBI:210536) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
1,3,8-trihydroxy-2-[(1S)-1-methoxyhexyl]-6-[4,5,7-trihydroxy-6-[(1S)-1-methoxyhexyl]-9,10-dioxoanthracen-2-yl]oxyanthracene-9,10-dione
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