KEGG   COMPOUND: C02004Help
Entry
C02004                      Compound                               

Name
Aristolochene;
(+)-Aristolochene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.3511
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
map01062  Biosynthesis of terpenoids and steroids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010327 Aristolane sesquiterpenoids
     C02004  Aristolochene
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Germacrenes
    C02004  Aristolochene
BRITE hierarchy
Other DBs
CAS: 123408-96-8
PubChem: 5100
ChEBI: 18027 43445
LIPIDMAPS: LMPR0103270003
KNApSAcK: C00036300
PDB-CCD: ION[PDBj]
3DMET: B01524
NIKKAJI: J790.281F
KCF data Show

ATOM        15
            1   C1z C    15.2963  -14.5877
            2   C2y C    15.2963  -13.1843
            3   C1x C    16.5212  -15.2895
            4   C1y C    14.0778  -15.2957
            5   C1a C    15.4237  -16.1821
            6   C2x C    16.5149  -12.4698
            7   C1x C    14.0778  -12.4888
            8   C1y C    17.7524  -14.5940
            9   C1x C    12.8784  -14.5877
            10  C1a C    14.0651  -16.8201
            11  C1x C    17.8096  -13.1715
            12  C1x C    12.8784  -13.1843
            13  C2c C    18.9518  -15.2830
            14  C1a C    18.9518  -17.0238
            15  C2a C    20.1512  -14.5877
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 1 #Up
            10    6  11 1
            11    7  12 1
            12    8  13 1 #Down
            13   13  14 1
            14   13  15 2
            15    8  11 1
            16    9  12 1

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