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Concept information

Preferred term

Secomilbemycin D  

Type

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

Broader concept

charge

  • 0

formula

  • C31H42O6

inchi

  • InChI=1S/C31H42O6/c1-19(7-6-8-24-18-35-30(34)28-14-22(4)29(33)16-27(24)28)13-20(2)9-10-26-15-25(32)17-31(37-26)12-11-21(3)23(5)36-31/h6-9,14,16,19,21,23,25-26,32-33H,10-13,15,17-18H2,1-5H3/b7-6+,20-9+,24-8-/t19-,21-,23+,25-,26+,31-/m0/s1

inchikey

  • IBVJSVVYWINUJP-XJZPEPCSSA-N

mass

  • 510.671

monoisotopicmass

  • 510.29814

smiles

  • O=C1OC/C(=C/C=C/[C@@H](C/C(=C/C[C@H]2O[C@]3(O[C@@H]([C@@H](C)CC3)C)C[C@H](C2)O)/C)C)/C4=C1C=C(C)C(=C4)O

subset

  • 2_STAR

synonym EXACT

  • (4E)-6-hydroxy-4-[(2E,4R,6E)-8-[(2R,4S,6R,8R,9S)-4-hydroxy-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethylocta-2,6-dienylidene]-7-methylisochromen-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212106

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