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Concept information

Preferred term

اسید فاسیکولیک F  

Type

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

Broader concept

charge

  • 0

formula

  • C36H60O10

inchi

  • InChI=1S/C36H60O10/c1-31(2)25-11-10-22-23(34(25,6)16-24(30(31)43)46-29(42)18-33(5,45)17-28(40)41)15-27(39)36(8)21(13-14-35(22,36)7)20(19-37)9-12-26(38)32(3,4)44/h20-21,24-27,30,37-39,43-45H,9-19H2,1-8H3,(H,40,41)/t20-,21+,24+,25-,26+,27-,30-,33?,34+,35-,36-/m0/s1

inchikey

  • FLXWNHMMKNTKDN-ZCWVSGAQSA-N

mass

  • 652.866

monoisotopicmass

  • 652.41865

smiles

  • O=C(O[C@H]1[C@H](O)C([C@@H]2CCC3=C([C@]2(C1)C)C[C@H](O)[C@]4([C@]3(CC[C@@H]4[C@H](CO)CC[C@@H](O)C(O)(C)C)C)C)(C)C)CC(O)(CC(=O)O)C

subset

  • 2_STAR

synonym EXACT

  • 5-[[(2R,3R,5R,10S,12S,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227023

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