Met009002: alpha-Methylstyrene
Metabolite Information
Name
alpha-Methylstyrene
IUPAC Name
prop-1-en-2-ylbenzene
Molecular Formula
C9H10
Molecular Weight
118.18
Exact Mass
118.0782503
SMILES
CC(=C)C1=CC=CC=C1
InChIKey
XYLMUPLGERFSHI-UHFFFAOYSA-N
InChI
InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
Benzene and substituted derivatives
Subclass:
Phenylpropenes
Crops containing this metabolite
cassava
maize
medicago
rice
soybean
sweet_potato
wheat
morus
s_miltiorrhiza
leonurus
maize
medicago
rice
soybean
sweet_potato
wheat
morus
s_miltiorrhiza
leonurus
Metabolite Spectrum Accession Label
RE00014p
SP00067p
MED00153p
MED00154p
MALB00069p
MALB00065p
MALB00066p
MALB00063p
SMIL00129p
SMIL00130p
SMIL00131p
SMIL00132p
SMIL00133p
SMIL00135p
SMIL00136p
SMIL00138p
SMIL00140p
SMIL00142p
SMIL00144p
LEJAP00123p
LEJAP00124p
LEJAP00127p
LEJAP00128p
CA00034p
CA00035p
CA00036p
WT00031p
SY00130p
MZ00037p
MZ00038p
SP00067p
MED00153p
MED00154p
MALB00069p
MALB00065p
MALB00066p
MALB00063p
SMIL00129p
SMIL00130p
SMIL00131p
SMIL00132p
SMIL00133p
SMIL00135p
SMIL00136p
SMIL00138p
SMIL00140p
SMIL00142p
SMIL00144p
LEJAP00123p
LEJAP00124p
LEJAP00127p
LEJAP00128p
CA00034p
CA00035p
CA00036p
WT00031p
SY00130p
MZ00037p
MZ00038p