Met003568: Gerfelin
Metabolite Information
Name
Gerfelin
IUPAC Name
4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoic acid
Molecular Formula
C15H14O6
Molecular Weight
290.27
Exact Mass
290.0790382
SMILES
CC1=CC(=C(C(=C1)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O
InChIKey
BGSIXQHNQUBHAX-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O6/c1-7-3-11(17)14(18)12(4-7)21-9-5-8(2)13(15(19)20)10(16)6-9/h3-6,16-18H,1-2H3,(H,19,20)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
Benzene and substituted derivatives
Subclass:
Diphenylethers
Crops containing this metabolite
s_miltiorrhiza
adzuki_bean
avocado
banana
blueberry
chestnut
cowpea
fig
ginger
grape
kidney_bean
kiwifruit
lentil
loquat
mango
peach
pear
taro
yam
adzuki_bean
avocado
banana
blueberry
chestnut
cowpea
fig
ginger
grape
kidney_bean
kiwifruit
lentil
loquat
mango
peach
pear
taro
yam
Metabolite Spectrum Accession Label
ADZ00010n
ADZ00037n
ADZ00040n
ADZ00087n
ADZ00354n
ADZ00376p
ADZ00495n
ADZ00601n
ADZ00620n
AVO01051n
AVO01059p
BAN00084n
BAN00154p
BLU00396n
BLU00473p
BLU00553p
CHE00149p
CHE00590p
COW00048n
COW00069p
COW00133n
COW00330n
COW00348n
COW00519n
COW00625n
COW00646p
COW00734n
FIG00005n
FIG00106p
FIG00245n
FIG00340n
GIN00893n
GRA00059n
GRA00567n
KID00033n
KID00043p
KID00060n
KID00149n
KID00246p
KID00248n
KID00249n
KID00267n
KID00275n
KID00293p
KID00478n
KID00489p
KID00567n
KID00596n
KID00648p
KID00653n
KID00679n
KID00735p
KID00793n
KID00813n
KID00822n
KIW00229p
KIW00533n
LEN00171p
LEN00467p
LOQ00067n
LOQ00143n
LOQ00152p
LOQ00319n
LOQ00440n
MAN00362n
MAN00389p
MAN00549n
PEACH00116n
PEACH00231p
PEACH00342n
PEACH00500n
PEACH00564p
PEAR00302p
TAR00207p
TAR00288p
YAM00309n
SMIL01254p
ADZ00037n
ADZ00040n
ADZ00087n
ADZ00354n
ADZ00376p
ADZ00495n
ADZ00601n
ADZ00620n
AVO01051n
AVO01059p
BAN00084n
BAN00154p
BLU00396n
BLU00473p
BLU00553p
CHE00149p
CHE00590p
COW00048n
COW00069p
COW00133n
COW00330n
COW00348n
COW00519n
COW00625n
COW00646p
COW00734n
FIG00005n
FIG00106p
FIG00245n
FIG00340n
GIN00893n
GRA00059n
GRA00567n
KID00033n
KID00043p
KID00060n
KID00149n
KID00246p
KID00248n
KID00249n
KID00267n
KID00275n
KID00293p
KID00478n
KID00489p
KID00567n
KID00596n
KID00648p
KID00653n
KID00679n
KID00735p
KID00793n
KID00813n
KID00822n
KIW00229p
KIW00533n
LEN00171p
LEN00467p
LOQ00067n
LOQ00143n
LOQ00152p
LOQ00319n
LOQ00440n
MAN00362n
MAN00389p
MAN00549n
PEACH00116n
PEACH00231p
PEACH00342n
PEACH00500n
PEACH00564p
PEAR00302p
TAR00207p
TAR00288p
YAM00309n
SMIL01254p