Met006837: Cordiaquinol J
Metabolite Information
Name
Cordiaquinol J
IUPAC Name
(5R,8aS,10aR)-5,8a-dimethyl-6,7,8,9,10,10a-hexahydroanthracene-1,4,5-triol
Molecular Formula
C16H22O3
Molecular Weight
262.34
Exact Mass
262.1568946
SMILES
CC12CCCC(C1CC3=C(C=CC(=C3C2)O)O)(C)O
InChIKey
SIHKZQDGUPOURP-OWCLPIDISA-N
InChI
InChI=1S/C16H22O3/c1-15-6-3-7-16(2,19)14(15)8-10-11(9-15)13(18)5-4-12(10)17/h4-5,14,17-19H,3,6-9H2,1-2H3/t14-,15+,16-/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
Anthracenes
Subclass:
NA
Crops containing this metabolite
leonurus
banana
broccoli
chickpea
cucumber
garlic
grape
mango
muskmelon
peach
pear
potato
tomato
turnip
watermelon
yam
banana
broccoli
chickpea
cucumber
garlic
grape
mango
muskmelon
peach
pear
potato
tomato
turnip
watermelon
yam
Metabolite Spectrum Accession Label
BAN00053n
BAN00163n
BROC00379n
CHI00566n
CHI00569n
CUC00061n
CUC00099n
CUC00313n
GAR00159n
GAR00180n
GAR00220n
GAR00255n
GAR00307n
GAR00345n
GAR00520n
GRA00034n
GRA00175n
GRA00246n
GRA00443n
GRA00460n
MAN00238n
MAN00373n
MUS00001n
MUS00018n
MUS00261n
MUS00397n
MUS00433n
PEACH00366n
PEACH00373n
PEAR00156n
PEAR00203n
PEAR00227n
POT00220n
TOM00752n
TUR00153n
TUR00165n
TUR00256n
TUR00281n
TUR00352n
TUR00403n
WAT00087n
WAT00093n
WAT00152n
WAT00160n
WAT00232n
WAT00306n
WAT00311n
YAM00148n
YAM00442n
BAN00163n
BROC00379n
CHI00566n
CHI00569n
CUC00061n
CUC00099n
CUC00313n
GAR00159n
GAR00180n
GAR00220n
GAR00255n
GAR00307n
GAR00345n
GAR00520n
GRA00034n
GRA00175n
GRA00246n
GRA00443n
GRA00460n
MAN00238n
MAN00373n
MUS00001n
MUS00018n
MUS00261n
MUS00397n
MUS00433n
PEACH00366n
PEACH00373n
PEAR00156n
PEAR00203n
PEAR00227n
POT00220n
TOM00752n
TUR00153n
TUR00165n
TUR00256n
TUR00281n
TUR00352n
TUR00403n
WAT00087n
WAT00093n
WAT00152n
WAT00160n
WAT00232n
WAT00306n
WAT00311n
YAM00148n
YAM00442n