Met008472: Crotonoside
Metabolite Information
Name
Crotonoside
IUPAC Name
6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
Molecular Formula
C10H13N5O5
Molecular Weight
283.24
Exact Mass
283.0916685
SMILES
C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)CO)O)O)N
InChIKey
MIKUYHXYGGJMLM-UUOKFMHZSA-N
InChI
InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Nucleosides, nucleotides, and analogues
Class:
Purine nucleosides
Subclass:
NA
Crops containing this metabolite
asparagus
avocado
bittermelon
blueberry
broad_bean
broccoli
chickpea
cucumber
eggplant
fig
garlic
kidney_bean
lemon
lentil
mung_bean
pea
peanut
perilla
tomato
turnip
avocado
bittermelon
blueberry
broad_bean
broccoli
chickpea
cucumber
eggplant
fig
garlic
kidney_bean
lemon
lentil
mung_bean
pea
peanut
perilla
tomato
turnip
Metabolite Spectrum Accession Label
ASP00463n
AVO00366p
AVO00722p
BIT00022p
BIT00041n
BIT00487p
BLU00577p
BROB00039n
BROB00607n
BROC00087n
BROC00857p
CHI00324p
CUC00340p
EGG00234p
EGG00248p
EGG00549n
FIG00304p
GAR00270p
GAR00291n
KID00433p
LEM00237p
LEN00198p
LEN00745n
MUN00565n
PEA00141n
PEA00249p
PEAN00495n
PER01690n
TOM00021p
TOM00099n
TOM00475n
TOM00574n
TOM00628p
TUR00225p
AVO00366p
AVO00722p
BIT00022p
BIT00041n
BIT00487p
BLU00577p
BROB00039n
BROB00607n
BROC00087n
BROC00857p
CHI00324p
CUC00340p
EGG00234p
EGG00248p
EGG00549n
FIG00304p
GAR00270p
GAR00291n
KID00433p
LEM00237p
LEN00198p
LEN00745n
MUN00565n
PEA00141n
PEA00249p
PEAN00495n
PER01690n
TOM00021p
TOM00099n
TOM00475n
TOM00574n
TOM00628p
TUR00225p