skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

Myrothecisin B  

Type

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

Broader concept

charge

  • 0

formula

  • C25H34O7

inchi

  • InChI=1S/C25H34O7/c1-13-6-7-20-23(3,4)22(31-14(2)28)18(29)10-24(20,5)25(13)9-16-19(32-25)8-15(11-26)17(12-27)21(16)30/h8,12-13,18,20,22,26,29-30H,6-7,9-11H2,1-5H3/t13-,18-,20+,22+,24+,25-/m1/s1

inchikey

  • NBHMHKSBJDGUEU-WNSSRZBCSA-N

mass

  • 446.540

monoisotopicmass

  • 446.23045

smiles

  • O=C(O[C@@H]1C([C@H]2[C@]([C@]3(OC=4C=C(CO)C(=C(C4C3)O)C=O)[C@H](C)CC2)(C)C[C@H]1O)(C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(2R,3R,4aS,5R,6R,8aS)-5'-ormyl-3,4'-dihydroxy-6'-(hydroxymethyl)-1,1,4a,6-tetramethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-3H-1-benzouran]-2-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214293

Download this concept: