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Concept information

Preferred term

julichrome-q2,3  

Type

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

Broader concept

charge

  • 0

formula

  • C38H34O14

inchi

  • InChI=1S/C38H34O14/c1-13-11-22(41)27-28(24(13)14(2)50-16(4)39)31(45)20-9-7-18(29(43)25(20)32(27)46)19-8-10-21-26(30(19)44)35(48)37-23(42)12-36(6,49)33(15(3)51-17(5)40)38(37,52-37)34(21)47/h7-11,14-15,33,35,41,43-44,48-49H,12H2,1-6H3/t14-,15+,33-,35+,36-,37+,38?/m0/s1

inchikey

  • UAASTADBBAWQPM-SFHWINAFSA-N

mass

  • 714.676

monoisotopicmass

  • 714.19486

smiles

  • O=C1C2=C(C(=O)C=3C1=C(O)C(C4=C(O)C5=C(C(=O)C67[C@H]([C@](O)(C)CC([C@]7([C@@H]5O)O6)=O)[C@H](OC(=O)C)C)C=C4)=CC3)C(=C(C)C=C2O)[C@@H](OC(=O)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1R)-1-[(1R,2R,11S,12S)-5-[5-[(1S)-1-acetyloxyethyl]-1,8-dihydroxy-6-methyl-9,10-dioxoanthracen-2-yl]-2,4,12-trihydroxy-12-methyl-9,14-dioxo-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-11-yl]ethyl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203979

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