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Concept information

Preferred term

کاتابولیت GA51  

Type

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

Broader concept

charge

  • -2

formula

  • C19H20O5

inchi

  • InChI=1S/C19H22O5/c1-9-6-19-7-10(9)3-4-13(19)12-5-11(20)8-18(2,17(23)24)14(12)15(19)16(21)22/h5,10,13-15H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/p-2/t10-,13+,14-,15-,18-,19+/m1/s1

inchikey

  • JBJGOHHQQSPYTO-BLMVKCSQSA-L

mass

  • 328.365

monoisotopicmass

  • 328.13217

smiles

  • [O-]C(=O)[C@@H]1[C@]23[C@](C=4[C@]1([C@](CC(=O)C4)(C)C([O-])=O)[H])(CC[C@](C2)(C(C3)=C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (1R,2S,3S,4R,9R,12R)-4-methyl-13-methylidene-6-oxotetracyclo[10.2.1.01,9.03,8]pentadec-7-ene-2,4-dicarboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:191246

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