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Concept information

Preferred term

اسپیرودینال بی  

Type

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

charge

  • 0

formula

  • C33H56O7

inchi

  • InChI=1S/C33H56O7/c1-10-14-20(2)17-22(4)30(37)26(8)32-24(6)27(38-9)19-33(40-32)28(35)18-23(5)31(39-33)25(7)29(36)21(3)15-12-11-13-16-34/h11-16,21-32,35-37H,10,17-19H2,1-9H3/b13-11+,15-12-,20-14+/t21?,22?,23-,24+,25?,26?,27+,28-,29?,30?,31-,32-,33+/m0/s1

inchikey

  • HIBXHLLAIDYISL-QKPYIBRLSA-N

mass

  • 564.804

monoisotopicmass

  • 564.40260

smiles

  • O=C/C=C/C=C/C(C(O)C([C@H]1O[C@]2(O[C@@H]([C@H](C)[C@@H](C2)OC)C(C(O)C(C/C(=C/CC)/C)C)C)[C@@H](O)C[C@@H]1C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2E,4Z)-7-hydroxy-8-[(2R,3R,4R,6R,8S,9S,11S)-11-hydroxy-2-[(E)-3-hydroxy-4,6-dimethylnon-6-en-2-yl]-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-6-methylnona-2,4-dienal

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200016

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