Met006224: Gossypol
Metabolite Information
Name
Gossypol
IUPAC Name
7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Molecular Formula
C30H30O8
Molecular Weight
518.6
Exact Mass
518.1940679
SMILES
CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O
InChIKey
QBKSWRVVCFFDOT-UHFFFAOYSA-N
InChI
InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Prenol lipids
Subclass:
Sesquiterpenoids
Crops containing this metabolite
s_miltiorrhiza
avocado
bittermelon
cabbage
chickpea
cucumber
garlic
kiwifruit
lentil
lettuce
loquat
mango
peach
pineapple
potato
tomato
watermelon
avocado
bittermelon
cabbage
chickpea
cucumber
garlic
kiwifruit
lentil
lettuce
loquat
mango
peach
pineapple
potato
tomato
watermelon
Metabolite Spectrum Accession Label