Mid000068: (1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Metabolite Information
Name
(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
IUPAC Name
(1,2,3-trimethylcycloprop-2-en-1-yl)benzene
Molecular Formula
C12H14
Molecular Weight
158.24
Exact Mass
158.1095504
SMILES
CC1=C(C1(C)C2=CC=CC=C2)C
InChIKey
OHNHLTBFDBOYSK-UHFFFAOYSA-N
InChI
InChI=1S/C12H14/c1-9-10(2)12(9,3)11-7-5-4-6-8-11/h4-8H,1-3H3
Other Databases Link
CID_581958
Structure
2D Structure
3D Conformer
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
Benzene and substituted derivatives
Subclass:
NA
Species containing this metabolite
| Acer truncatum | Achyranthes aspera | Actinidia chinensis | Adiantum capillus-veneris | Albizia julibrissin |
| Allium macrostemon | Amorpha fruticosa | Arabidopsis thaliana | Ardisia japonica | Aristolochia tubiflora |
| Artocarpus heterophyllus | Arundina graminifolia | Asparagus filicinus | Astragalus membranaceus | Biancaea decapetala |
| Bletilla striata | Boehmeria nivea | Bombax ceiba | Broussonetia papyrifera | Calliandra haematocephala |
| Callistemon rigidus | Calystegia hederacea | Camellia sinensis | Canna indica | Carya illinoinensis |
| Catalpa ovata | Causonis japonica | Cercis glabra | Cheniella glauca | Chimonanthus praecox |
| Citrus trifoliata | Coffea arabica | Coptis chinensis | Coriandrum sativum | Cucurbita moschata |
| Cycas revoluta | Cyperus rotundus | Dalbergia assamica | Erythrina variegata | Euonymus alatus |
| Eupatorium fortunei | Ficus carica | Forsythia viridissima | Gardenia jasminoides | Ginkgo biloba |
| Helianthus annuus | Hemerocallis fulva | Houpoea officinalis | Hydrangea macrophylla | Hypericum longistylum |
| Illicium henryi | Indigofera bungeana | Juncus setchuensis | Kadsura longipedunculata | Laurus nobilis |
| Leonurus japonicus | Liriodendron chinense | Lonicera japonica | Lonicera maackii | Lycium chinense |
| Lygodium japonicum | Magnolia grandiflora | Melia azedarach | Morus alba | Musa balbisiana |
| Nelumbo nucifera | Nephrolepis auriculata | Nymphaea tetragona | Nyssa sinensis | Oenanthe javanica |
| Ophiopogon bodinieri | Opuntia dillenii | Oryza sativa | Osmanthus fragrans | Passiflora edulis |
| Perilla frutescens | Persicaria chinensis | Phyllostachys edulis | Pinellia pedatisecta | Platycodon grandiflorus |
| Pleuropterus multiflorus | Polygonatum cyrtonema | Portulaca oleracea | Prunus spinosa | Pterocarpus macrocarpus |
| Raphanus sativus | Rhynchosia volubilis | Robinia pseudoacacia | Rosa multiflora | Rostellularia procumbens |
| Salix chienii | Salvia miltiorrhiza | Salvia plebeia | Saraca dives | Schisandra chinensis |
| Scutellaria barbata | Sedum alfredii | Sesbania cannabina | Silybum marianum | Solanum nigrum |
| Solidago canadensis | Stachyurus yunnanensis | Stemona japonica | Styphnolobium japonicum | Syzygium hancei |
| Taraxacum mongolicum | Taxus wallichiana var. chinensis | Toxicodendron succedaneum | Vachellia farnesiana | Wisteria sinensis |
| Zanthoxylum armatum |
Metabolite Spectrum Accession Label