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Concept information

Preferred term

ganorbiformin g  

Type

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

Broader concept

charge

  • 0

formula

  • C32H46O5

inchi

  • InChI=1S/C32H46O5/c1-19(28(35)36)9-11-25(37-21(3)33)20(2)22-13-17-32(8)24-10-12-26-29(4,5)27(34)15-16-30(26,6)23(24)14-18-31(22,32)7/h9-10,14,20,22,25-26H,11-13,15-18H2,1-8H3,(H,35,36)/t20-,22+,25-,26-,30+,31+,32-/m0/s1

inchikey

  • KNLDCVVYBDMCGK-FCHFMIQBSA-N

mass

  • 510.715

monoisotopicmass

  • 510.33452

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (5S,6S)-5-acetyloxy-2-methyl-6-[(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-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205695

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