Met002156: Curculigoside B
Metabolite Information
Name
Curculigoside B
IUPAC Name
[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-hydroxy-6-methoxybenzoate
Molecular Formula
C21H24O11
Molecular Weight
452.4
Exact Mass
452.1318616
SMILES
COC1=CC=CC(=C1C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O
InChIKey
DIZYHORWVKHYCQ-PEVLUNPASA-N
InChI
InChI=1S/C21H24O11/c1-29-14-4-2-3-12(24)16(14)20(28)30-9-10-7-11(23)5-6-13(10)31-21-19(27)18(26)17(25)15(8-22)32-21/h2-7,15,17-19,21-27H,8-9H2,1H3/t15-,17-,18+,19-,21-/m1/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
maize
rice
adzuki_bean
banana
blueberry
chestnut
cowpea
eggplant
kidney_bean
kiwifruit
lentil
lettuce
mung_bean
peanut
yam
rice
adzuki_bean
banana
blueberry
chestnut
cowpea
eggplant
kidney_bean
kiwifruit
lentil
lettuce
mung_bean
peanut
yam
Metabolite Spectrum Accession Label
RE01248n
ADZ00057n
ADZ00217n
ADZ00737p
ADZ00753n
BAN00531n
BLU00194n
CHE00257n
CHE00603n
COW00247n
COW00354n
COW00504n
COW00539p
COW00595p
COW00680p
COW00765n
EGG00138n
KID00038p
KID00360n
KID00420n
KID00438n
KID00857p
KIW00266n
LEN00069n
LEN00402n
LEN00576p
LEN00690n
LET00276n
MUN00009n
MUN00675p
PEAN00114p
YAM00187n
MZ01490n
ADZ00057n
ADZ00217n
ADZ00737p
ADZ00753n
BAN00531n
BLU00194n
CHE00257n
CHE00603n
COW00247n
COW00354n
COW00504n
COW00539p
COW00595p
COW00680p
COW00765n
EGG00138n
KID00038p
KID00360n
KID00420n
KID00438n
KID00857p
KIW00266n
LEN00069n
LEN00402n
LEN00576p
LEN00690n
LET00276n
MUN00009n
MUN00675p
PEAN00114p
YAM00187n
MZ01490n