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Concept information

Preferred term

زانتوکینودین A3  

Type

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

Broader concept

charge

  • 0

formula

  • C31H24O11

inchi

  • InChI=1S/C31H24O11/c1-12-7-15-22(16(32)8-12)27(37)24-25(35)14-5-6-30(24,28(15)38)10-13-9-18-23(26(36)21(13)14)17(33)11-31(42-18,29(39)40-2)19-3-4-20(34)41-19/h5-9,14,19,32,36-37H,3-4,10-11H2,1-2H3/t14-,19-,30+,31+/m0/s1

inchikey

  • JUSHCXMJWBJGNO-MCQZTPTCSA-N

mass

  • 572.522

monoisotopicmass

  • 572.13186

smiles

  • O=C1C2=C(C(O)=C3[C@]14C=C[C@H](C3=O)C5=C(C4)C=C6O[C@@](C(=O)OC)([C@H]7OC(=O)CC7)CC(C6=C5O)=O)C(O)=CC(=C2)C

subset

  • 2_STAR

synonym EXACT

  • methyl (1S,7R,13S)-11,16,18-trihydroxy-20-methyl-9,14,23-trioxo-7-[(2S)-5-oxooxolan-2-yl]-6-oxahexacyclo[11.10.2.01,15.03,12.05,10.017,22]pentacosa-3,5(10),11,15,17(22),18,20,24-octaene-7-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197598

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