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Concept information

Preferred term

فومیتوپسیک اسید B  

Type

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

Broader concept

charge

  • 0

formula

  • C33H48O5

inchi

  • InChI=1S/C33H48O5/c1-21(2)9-8-10-22(20-38-29(37)19-28(35)36)23-13-17-33(7)25-11-12-26-30(3,4)27(34)15-16-31(26,5)24(25)14-18-32(23,33)6/h9,11,14,22-23,26H,8,10,12-13,15-20H2,1-7H3,(H,35,36)/t22-,23+,26-,31+,32+,33-/m0/s1

inchikey

  • SXYOHWHWZQDZED-YAIYFESBSA-N

mass

  • 524.742

monoisotopicmass

  • 524.35017

smiles

  • O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@H](COC(=O)CC(=O)O)CCC=C(C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

  • 3-[(2R)-6-methyl-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoxy]-3-oxopropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199000

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