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CHEBI:206837 - Fumigatoside B

ChEBI IDCHEBI:206837
ChEBI NameFumigatoside B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H33N5O10
Net Charge0
Average Mass623.619
Monoisotopic Mass623.22274
SMILESC[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@H]3C(=O)N[C@](C)(O)c4nc5ccccc5c(=O)n43)[C@H]2N1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C30H33N5O10/c1-13-24(41)35-17-10-6-4-8-15(17)30(44,28(35)33(13)26-22(39)21(38)20(37)19(12-36)45-26)11-18-23(40)32-29(2,43)27-31-16-9-5-3-7-14(16)25(42)34(18)27/h3-10,13,18-22,26,28,36-39,43-44H,11-12H2,1-2H3,(H,32,40)/t13-,18-,19+,20+,21-,22+,26+,28-,29+,30-/m0/s1
InChIKeyCFCZBNWOXKZOMD-TUKBVIKSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1016/j.tet.2014.11.063)
ChEBI Ontology
Outgoing Relation(s)
Fumigatoside B (CHEBI:206837) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(1R,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-hydroxy-1-methyl-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
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