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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > acenoquinone > anthraquinone > hydroxyanthraquinones > (1s,3s)-austrocortilutein 8-o-beta-d-gentiobioside

Preferred term

(1s,3s)-austrocortilutein 8-o-beta-d-gentiobioside  

Type

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

Broader concept

charge

  • 0

formula

  • C28H36O16

inchi

  • InChI=1S/C28H36O16/c1-28(39)5-11-16(12(30)6-28)21(34)17-10(18(11)31)3-9(40-2)4-13(17)42-27-25(38)23(36)20(33)15(44-27)8-41-26-24(37)22(35)19(32)14(7-29)43-26/h3-4,12,14-15,19-20,22-27,29-30,32-33,35-39H,5-8H2,1-2H3/t12-,14+,15+,19+,20+,22-,23-,24+,25+,26+,27+,28-/m0/s1

inchikey

  • ZHQBWGJFLQHALO-RHRFXCQBSA-N

mass

  • 628.580

monoisotopicmass

  • 628.20034

smiles

  • O=C1C2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)C=C(OC)C=C2C(=O)C5=C1[C@@H](O)C[C@](C5)(O)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3S)-1,3-dihydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,4-dihydro-1H-anthracene-9,10-dione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227151

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