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Concept information

Preferred term

trichobreol b  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28O6

inchi

  • InChI=1S/C21H28O6/c1-4-5-6-7-15(23)27-17-16(24)18-21(12-25-21)20(17,3)19(2)9-8-13(11-22)10-14(19)26-18/h4-7,10,14,16-18,22,24H,8-9,11-12H2,1-3H3/b5-4+,7-6-/t14-,16-,17-,18-,19+,20-,21+/m1/s1

inchikey

  • OGMOBRCVARJBFB-JVEUGTBLSA-N

mass

  • 376.449

monoisotopicmass

  • 376.18859

smiles

  • O=C(O[C@H]1[C@@]2([C@@]3([C@@H](C=C(CO)CC3)O[C@H]([C@@H]1O)[C@]24OC4)C)C)/C=C/C=C/C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2R,7R,9R,10R,11S,12S)-10-hydroxy-5-(hydroxymethyl)-1,2-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E)-hexa-2,4-dienoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223564

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