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Concept information

Preferred term

گانوربیفورمین E  

Type

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

Broader concept

charge

  • 0

formula

  • C32H48O6

inchi

  • InChI=1S/C32H48O6/c1-18(28(36)37)9-10-24(38-20(3)33)19(2)21-11-16-32(8)27-22(12-15-31(21,32)7)30(6)14-13-26(35)29(4,5)25(30)17-23(27)34/h9,19,21,23-25,34H,10-17H2,1-8H3,(H,36,37)/t19-,21+,23+,24-,25-,30+,31+,32-/m0/s1

inchikey

  • NQOCOYQAQQQJKJ-FKFTWZIOSA-N

mass

  • 528.730

monoisotopicmass

  • 528.34509

smiles

  • O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@@H](OC(=O)C)CC=C(C(=O)O)C)C)CC4)(C)CC3)C)[C@@H](C2)O)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215757

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