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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxyanthraquinones > 6,6'-oxybis(1,3,8-trihydroxy-2-((s)-1-methoxyhexyl)anthracene-9,10-dione)
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > hydroxyanthraquinones > 6,6'-oxybis(1,3,8-trihydroxy-2-((s)-1-methoxyhexyl)anthracene-9,10-dione)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > hydroxyanthraquinones > 6,6'-oxybis(1,3,8-trihydroxy-2-((s)-1-methoxyhexyl)anthracene-9,10-dione)
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > acenoquinone > anthraquinone > hydroxyanthraquinones > 6,6'-oxybis(1,3,8-trihydroxy-2-((s)-1-methoxyhexyl)anthracene-9,10-dione)

Preferred term

6,6'-oxybis(1,3,8-trihydroxy-2-((s)-1-methoxyhexyl)anthracene-9,10-dione)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C42H42O13

inchi

  • InChI=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

inchikey

  • FMTOONJSDWEQTN-KYJUHHDHSA-N

mass

  • 754.785

monoisotopicmass

  • 754.26254

smiles

  • O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(OC4=CC(O)=C5C(=O)C=6C(O)=C([C@@H](OC)CCCCC)C(=CC6C(C5=C4)=O)O)C3)[C@@H](OC)CCCCC

subset

  • 2_STAR

synonym EXACT

  • 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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210536

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