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Concept information

Preferred term

epothilone g2  

Type

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

Broader concept

charge

  • 0

formula

  • C27H41NO7

inchi

  • InChI=1S/C27H41NO7/c1-15-9-8-10-27(7)22(35-27)12-20(16(2)11-19-14-33-18(4)28-19)34-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1

inchikey

  • WFXWKMLJLRBVHH-PVYNADRNSA-N

mass

  • 491.625

monoisotopicmass

  • 491.28830

smiles

  • O=C1C([C@@H](O)CC(=O)O[C@H](/C(=C/C=2N=C(C)OC2)/C)C[C@H]3[C@@](CCC[C@@H]([C@@H]([C@H]1C)O)C)(O3)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203723

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