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Concept information

Preferred term

گانودریک اسید J  

Type

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

Broader concept

charge

  • 0

formula

  • C30H42O7

inchi

  • InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21,23,35H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,21+,23+,28+,29-,30+/m1/s1

inchikey

  • KIJCKCLHIXLFEW-JJWHRAAESA-N

mass

  • 514.659

monoisotopicmass

  • 514.29305

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(C1)C)[C@@H](CC(=O)CC(C(=O)O)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (6R)-6-[(5R,10S,13R,14R,15S,17R)-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:219374

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