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Concept information

Preferred term

Myrothecisin C  

Type

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

charge

  • 0

formula

  • C25H34O6

inchi

  • InChI=1S/C25H34O6/c1-14-6-7-19-20(8-9-22(24(19,3)4)31-15(2)28)25(14,5)11-17-21(29)10-16(12-26)18(13-27)23(17)30/h8,10,13-14,19,22,26,29-30H,6-7,9,11-12H2,1-5H3/t14-,19-,22+,25-/m1/s1

inchikey

  • XULYKWDONUXBJD-JYMQEWJJSA-N

mass

  • 430.541

monoisotopicmass

  • 430.23554

smiles

  • O=C(O[C@@H]1C([C@H]2C([C@@]([C@H](C)CC2)(CC3=C(O)C(=C(CO)C=C3O)C=O)C)=CC1)(C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(2S,5R,6R,8aR)-5-[[3-ormyl-2,6-dihydroxy-4-(hydroxymethyl)phenyl]methyl]-1,1,5,6-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-2-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214300

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