Mid013154: Chabrolol B
Metabolite Information
Name
Chabrolol B
IUPAC Name
(1R,2R,5R,7R,10Z,12R,13R)-2,7,13-trimethyl-6-oxatricyclo[10.3.0.05,7]pentadec-10-ene-2,13-diol
Molecular Formula
C17H28O3
Molecular Weight
280.4
Exact Mass
280.2038448
SMILES
CC1(CCC2C(O2)(CCC=CC3C1CCC3(C)O)C)O
InChIKey
VWCSZBNTUJEAFU-DMBYACRVSA-N
InChI
InChI=1S/C17H28O3/c1-15(18)10-7-13-12(15)6-4-5-9-17(3)14(20-17)8-11-16(13,2)19/h4,6,12-14,18-19H,5,7-11H2,1-3H3/b6-4-/t12-,13-,14-,15-,16-,17-/m1/s1
Other Databases Link
knapsack_C00031662
Structure
2D Structure
3D Conformer
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic oxygen compounds
Class:
Organooxygen compounds
Subclass:
Alcohols and polyols
Species containing this metabolite
| Albizia julibrissin | Amorpha fruticosa | Ardisia japonica | Asparagus filicinus | Boehmeria nivea |
| Bombax ceiba | Calliandra haematocephala | Catalpa ovata | Chimonanthus praecox | Citrus trifoliata |
| Clematis chinensis | Crataegus pinnatifida | Cucurbita moschata | Dalbergia assamica | Dalbergia odorifera |
| Euonymus alatus | Ficus carica | Hemerocallis fulva | Hydrangea macrophylla | Indigofera bungeana |
| Laurus nobilis | Lonicera maackii | Macadamia ternifolia | Magnolia grandiflora | Morus alba |
| Nelumbo nucifera | Ophiopogon bodinieri | Opuntia dillenii | Ormosia hosiei | Phyllostachys edulis |
| Prunus persica | Raphanus sativus | Rostellularia procumbens | Salvia plebeia | Silybum marianum |
| Speirantha gardenii | Wisteria sinensis |
Metabolite Spectrum Accession Label