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Concept information

Preferred term

آفیسیمالونیک اسید F  

Type

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

Broader concept

charge

  • 0

formula

  • C35H52O8

inchi

  • InChI=1S/C35H52O8/c1-19(21(3)31(40)41)10-11-20(2)22-12-15-34(7)30-23(16-26(37)35(22,34)8)33(6)14-13-27(43-29(39)18-28(38)42-9)32(4,5)25(33)17-24(30)36/h20-22,25-27,37H,1,10-18H2,2-9H3,(H,40,41)/t20-,21+,22-,25+,26-,27-,33-,34+,35+/m1/s1

inchikey

  • SVNICXKSXGSPGN-READASPFSA-N

mass

  • 600.793

monoisotopicmass

  • 600.36622

smiles

  • O=C1C2=C([C@]3(CC[C@H](C([C@@H]3C1)(C)C)OC(=O)CC(=O)OC)C)C[C@@H](O)[C@]4([C@]2(CC[C@@H]4[C@@H](CCC(=C)[C@@H](C(=O)O)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,6R)-6-[(3R,5R,10S,12R,13R,14R,17R)-12-hydroxy-3-(3-methoxy-3-oxopropanoyl)oxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222117

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