skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

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-hydroxyhexyl)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-hydroxyhexyl)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-hydroxyhexyl)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-hydroxyhexyl)anthracene-9,10-dione)

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C40H38O13

inchi

  • InChI=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

inchikey

  • IBUCESIIJVZXSR-ZEQRLZLVSA-N

mass

  • 726.731

monoisotopicmass

  • 726.23124

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](O)CCCCC)C(=CC6C(C5=C4)=O)O)C3)[C@@H](O)CCCCC

subset

  • 2_STAR

synonym EXACT

  • 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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210542

Download this concept: