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Concept information

Preferred term

اسید گیبوزیک K  

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)18-12-24(35)30(7)25-19(13-23(34)29(18,30)6)28(5)9-8-22(33)27(3,4)21(28)14-20(25)32/h10,16,18,21,23-24,34-35H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10+/t16-,18+,21-,23-,24+,28+,29-,30-/m0/s1

inchikey

  • YSBMLQVCOATJAG-BDSXUYNDSA-N

mass

  • 514.659

monoisotopicmass

  • 514.29305

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225160

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