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CHEBI:211544 - Fumigatoside D

ChEBI IDCHEBI:211544
ChEBI NameFumigatoside D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H33N5O9
Net Charge0
Average Mass607.620
Monoisotopic Mass607.22783
SMILESC[C@@H]1NC(=O)[C@H](C[C@]2(O)c3ccccc3N3C(=O)[C@H](C)N([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]32)n2c1nc1ccccc1c2=O
InChIInChI=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
InChIKeyVCGAKVDKXANVTK-JZUNSPIXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1016/j.tet.2014.11.063)
ChEBI Ontology
Outgoing Relation(s)
Fumigatoside D (CHEBI:211544) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(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
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