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CHEBI:210542 - 6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-hydroxyhexyl)anthracene-9,10-dione)

ChEBI IDCHEBI:210542
ChEBI Name6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-hydroxyhexyl)anthracene-9,10-dione)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H38O13
Net Charge0
Average Mass726.731
Monoisotopic Mass726.23124
SMILESCCCCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(Oc3cc(O)c4c(c3)C(=O)c3cc(O)c([C@@H](O)CCCCC)c(O)c3C4=O)cc1C2=O
InChIInChI=1S/C40H38O13/c1-3-5-7-9-23(41)33-27(45)15-21-31(39(33)51)37(49)29-19(35(21)47)11-17(13-25(29)43)53-18-12-20-30(26(44)14-18)38(50)32-22(36(20)48)16-28(46)34(40(32)52)24(42)10-8-6-4-2/h11-16,23-24,41-46,51-52H,3-10H2,1-2H3/t23-,24-/m0/s1
InChIKeyIBUCESIIJVZXSR-ZEQRLZLVSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (30543983)
ChEBI Ontology
Outgoing Relation(s)
6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-hydroxyhexyl)anthracene-9,10-dione) (CHEBI:210542) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
1,3,8-trihydroxy-2-[(1S)-1-hydroxyhexyl]-6-[4,5,7-trihydroxy-6-[(1S)-1-hydroxyhexyl]-9,10-dioxoanthracen-2-yl]oxyanthracene-9,10-dione
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