Met000638: Gingerglycolipid B
Metabolite Information
Name
Gingerglycolipid B
IUPAC Name
[(2S)-2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Molecular Formula
C33H58O14
Molecular Weight
678.8
Exact Mass
678.3826565
SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
InChIKey
UHISGSDYAIIBMO-UMLSMIIMSA-N
InChI
InChI=1S/C33H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h6-7,9-10,22-24,26-35,37-42H,2-5,8,11-21H2,1H3/b7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Glycerolipids
Subclass:
Glycosylglycerols
Crops containing this metabolite
banana
broad_bean
chestnut
chickpea
eggplant
lentil
mung_bean
parsley
pea
peanut
pineapple
watermelon
broad_bean
chestnut
chickpea
eggplant
lentil
mung_bean
parsley
pea
peanut
pineapple
watermelon
Metabolite Spectrum Accession Label
BAN00066n
BAN00077n
BAN00208p
BAN00210n
BAN00216n
BAN00269n
BAN00461n
BROB00262p
BROB00335n
BROB00778n
CHE00666p
CHI00205n
CHI00349n
EGG00548n
EGG00676n
EGG00722n
LEN00604n
LEN00789n
MUN00431n
MUN00725n
PAR00306p
PAR00733n
PEA00022n
PEA00076p
PEA00394n
PEA00566n
PEA00606n
PEAN00283n
PEAN00368n
PEAN00441p
PEAN00733p
PEAN00779n
PIN00012n
WAT00080p
BAN00077n
BAN00208p
BAN00210n
BAN00216n
BAN00269n
BAN00461n
BROB00262p
BROB00335n
BROB00778n
CHE00666p
CHI00205n
CHI00349n
EGG00548n
EGG00676n
EGG00722n
LEN00604n
LEN00789n
MUN00431n
MUN00725n
PAR00306p
PAR00733n
PEA00022n
PEA00076p
PEA00394n
PEA00566n
PEA00606n
PEAN00283n
PEAN00368n
PEAN00441p
PEAN00733p
PEAN00779n
PIN00012n
WAT00080p