Met002151: Verbasoside
Metabolite Information
Name
Verbasoside
IUPAC Name
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Molecular Formula
C20H30O12
Molecular Weight
462.4
Exact Mass
462.1737264
SMILES
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)CO)O)O)O)O
InChIKey
DORPKYRPJIIARM-GYAWPQPFSA-N
InChI
InChI=1S/C20H30O12/c1-8-13(24)15(26)16(27)20(30-8)32-18-14(25)12(7-21)31-19(17(18)28)29-5-4-9-2-3-10(22)11(23)6-9/h2-3,6,8,12-28H,4-5,7H2,1H3/t8-,12+,13-,14+,15+,16+,17+,18-,19+,20-/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic oxygen compounds
Class:
Organooxygen compounds
Subclass:
Carbohydrates and carbohydrate conjugates
Crops containing this metabolite
adzuki_bean
asparagus
avocado
bittermelon
blueberry
broad_bean
cabbage
chestnut
citrus
cowpea
loquat
mango
okra
parsley
peach
perilla
spinach
tomato
watermelon
yam
asparagus
avocado
bittermelon
blueberry
broad_bean
cabbage
chestnut
citrus
cowpea
loquat
mango
okra
parsley
peach
perilla
spinach
tomato
watermelon
yam
Metabolite Spectrum Accession Label
ADZ00319n
ASP00079n
ASP00393n
ASP00421n
ASP00533n
AVO00472n
AVO00838n
BIT00025n
BLU00401n
BLU00472n
BROB00026n
BROB00241n
CAB00097n
CHE00093n
CIT00256n
COW00435n
LOQ00263n
MAN00218n
OKR00422n
PAR00136n
PAR00309n
PAR00840n
PEACH00023n
PER01645n
SPI00289n
SPI00690n
TOM00474n
WAT00062n
WAT00350n
YAM00415n
ASP00079n
ASP00393n
ASP00421n
ASP00533n
AVO00472n
AVO00838n
BIT00025n
BLU00401n
BLU00472n
BROB00026n
BROB00241n
CAB00097n
CHE00093n
CIT00256n
COW00435n
LOQ00263n
MAN00218n
OKR00422n
PAR00136n
PAR00309n
PAR00840n
PEACH00023n
PER01645n
SPI00289n
SPI00690n
TOM00474n
WAT00062n
WAT00350n
YAM00415n