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Concept information

Preferred term

fumigatoside d  

Type

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

Broader concept

charge

  • 0

formula

  • C30H33N5O9

inchi

  • InChI=1S/C30H33N5O9/c1-13-24-32-17-9-5-3-7-15(17)27(42)34(24)19(25(40)31-13)11-30(43)16-8-4-6-10-18(16)35-26(41)14(2)33(29(30)35)28-23(39)22(38)21(37)20(12-36)44-28/h3-10,13-14,19-23,28-29,36-39,43H,11-12H2,1-2H3,(H,31,40)/t13-,14-,19-,20+,21+,22-,23+,28+,29-,30-/m0/s1

inchikey

  • VCGAKVDKXANVTK-JZUNSPIXSA-N

mass

  • 607.620

monoisotopicmass

  • 607.22783

smiles

  • O=C1N2C(=NC3=C1C=CC=C3)[C@@H](NC([C@@H]2C[C@]4(O)C5=C(C=CC=C5)N6[C@@H]4N([C@@H]7O[C@@H]([C@@H](O)[C@@H]([C@H]7O)O)CO)[C@@H](C)C6=O)=O)C

subset

  • 2_STAR

synonym EXACT

  • (1S,4S)-4-[[(2S,3aS,4S)-4-hydroxy-2-methyl-1-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211544

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