Met009741: (+)-Cheimonophyllal
Metabolite Information
Name
(+)-Cheimonophyllal
IUPAC Name
(3aR,6S,7R,7aS)-6,7-dihydroxy-6-methyl-2-(3-methylbutanoyl)-4,5,7,7a-tetrahydro-3aH-1-benzofuran-3-carbaldehyde
Molecular Formula
C15H22O5
Molecular Weight
282.33
Exact Mass
282.1467238
SMILES
CC(C)CC(=O)C1=C(C2CCC(C(C2O1)O)(C)O)C=O
InChIKey
PJOMFJVGPWAFIC-UVCAVOOOSA-N
InChI
InChI=1S/C15H22O5/c1-8(2)6-11(17)12-10(7-16)9-4-5-15(3,19)14(18)13(9)20-12/h7-9,13-14,18-19H,4-6H2,1-3H3/t9-,13+,14-,15+/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Benzofurans
Subclass:
NA
Crops containing this metabolite
avocado
bittermelon
broad_bean
carrot
cauliflower
chickpea
cucumber
kidney_bean
lemon
lentil
loquat
mung_bean
muskmelon
pea
peach
taro
bittermelon
broad_bean
carrot
cauliflower
chickpea
cucumber
kidney_bean
lemon
lentil
loquat
mung_bean
muskmelon
pea
peach
taro
Metabolite Spectrum Accession Label