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Concept information

Preferred term

گانوبریانیک اسید E  

Type

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

Broader concept

charge

  • 0

formula

  • C32H44O9

inchi

  • InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21,23,27,37H,9-14H2,1-8H3,(H,39,40)/t15-,16+,19-,21+,23-,27-,30+,31+,32+/m1/s1

inchikey

  • NLNCTBLNKQLNSH-XCZNIKSMSA-N

mass

  • 572.695

monoisotopicmass

  • 572.29853

smiles

  • O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@@]4([C@H](O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)[C@@H](CC(=O)C[C@@H](C(=O)O)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,6R)-6-[(5R,10S,12S,13R,14R,15R,17R)-12-acetyloxy-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225218

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