Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:00:17 UTC
Update Date2022-08-31 06:44:35 UTC
Metabolite IDMMDBc0018851
Metabolite Identification
Common NameFumigatoside D
DescriptionFumigatoside D belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Based on a literature review very few articles have been published on Fumigatoside D.
Structure
SynonymsNot Available
Molecular FormulaC30H33N5O9
Average Mass607.62
Monoisotopic Mass607.227827663
IUPAC Name(2S,9S,9aS)-9-hydroxy-9-{[(1S,4S)-3-hydroxy-1-methyl-6-oxo-1H,4H,6H-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H,2H,3H,9H,9aH-imidazo[1,2-a]indol-3-one
Traditional Name(2S,9S,9aS)-9-hydroxy-9-{[(1S,4S)-3-hydroxy-1-methyl-6-oxo-1H,4H-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2H,9aH-imidazo[1,2-a]indol-3-one
CAS Registry NumberNot Available
SMILES
[H][C@@]1(C)N([C@@]2([H])N(C1=O)C1=CC=CC=C1[C@@]2(O)C[C@]1([H])N2C(=O)C3=CC=CC=C3N=C2[C@]([H])(C)N=C1O)[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
InChI Identifier
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
InChI KeyVCGAKVDKXANVTK-JZUNSPIXSA-N