Met006353: Cinncassiol A
Metabolite Information
Name
Cinncassiol A
IUPAC Name
2,6,8,12-tetrahydroxy-4-(1-hydroxypropan-2-yl)-3,7,11-trimethyl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-14-one
Molecular Formula
C20H30O7
Molecular Weight
382.4
Exact Mass
382.1991533
SMILES
CC1CCC2(C3(CC(=O)OC2(C1O)C4(C3(CC(=C4C)C(C)CO)O)O)C)O
InChIKey
WIFHAKQJYHVTQK-UHFFFAOYSA-N
InChI
InChI=1S/C20H30O7/c1-10-5-6-17(24)16(4)8-14(22)27-20(17,15(10)23)19(26)12(3)13(11(2)9-21)7-18(16,19)25/h10-11,15,21,23-26H,5-9H2,1-4H3
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:
Terpene lactones
Crops containing this metabolite
maize
rice
wheat
avocado
bittermelon
chestnut
cucumber
mung_bean
okra
rice
wheat
avocado
bittermelon
chestnut
cucumber
mung_bean
okra
Metabolite Spectrum Accession Label