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Concept information

Preferred term

گانوهاینیک اسید B  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O6

inchi

  • InChI=1S/C30H44O6/c1-17(13-19(32)14-18(2)26(35)36)20-7-12-30(6)25-21(8-11-29(20,30)5)27(3)10-9-24(34)28(4,16-31)23(27)15-22(25)33/h17-18,20,23,31H,7-16H2,1-6H3,(H,35,36)/t17-,18+,20-,23-,27-,28+,29-,30+/m1/s1

inchikey

  • JLYHPTKRTMHIPL-GMLWSQIBSA-N

mass

  • 500.676

monoisotopicmass

  • 500.31379

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2S,6R)-6-[(4R,5R,10S,13R,14R,17R)-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204604

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