KEGG   COMPOUND: C09705Help
Entry
C09705                      Compound                               

Name
Patchouli alcohol
Formula
C15H26O
Exact mass
222.1984
Mol weight
222.3663
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Bisabolanes
    C09705  Patchouli alcohol
Major components of natural products [BR:br08323]
 Essential oils
  Patchouli oil
   C09705  Patchouli alcohol
BRITE hierarchy
Other DBs
CAS: 5986-55-0
PubChem: 11894
ChEBI: 7940
KNApSAcK: C00003168
3DMET: B05375
NIKKAJI: J53.025E
LinkDB All DBs
KCF data Show

ATOM        16
            1   C1z C    27.5801  -17.7975
            2   C1z C    27.5801  -16.3216
            3   C1y C    26.3666  -18.5034
            4   C1x C    28.7818  -18.5034
            5   C1a C    26.9849  -16.9400
            6   C1z C    28.2626  -17.6050
            7   C1x C    26.3666  -15.6972
            8   O1a O    28.5018  -14.9915
            9   C1x C    27.0551  -19.7053
            10  C1y C    25.1473  -17.7975
            11  C1x C    29.4702  -19.7053
            12  C1y C    28.2568  -19.0109
            13  C1a C    29.4761  -17.2432
            14  C1a C    28.9450  -16.0474
            15  C1x C    25.1473  -16.3916
            16  C1a C    23.9337  -18.5034
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     2   8 1
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15   10  16 1 #Up
            16    9  12 1
            17   10  15 1
            18   11  12 1

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