KEGG   COMPOUND: C09676Help
Entry
C09676                      Compound                               

Name
Guaiol
Formula
C15H26O
Exact mass
222.1984
Mol weight
222.3663
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010341 Guaiane sesquiterpenoids
     C09676  Guaiol
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Eudesmanes
    C09676  Guaiol
BRITE hierarchy
Other DBs
CAS: 489-86-1
PubChem: 11866
ChEBI: 5552
ChEMBL: CHEMBL226915 CHEMBL3187162
LIPIDMAPS: LMPR0103410007
KNApSAcK: C00003139
3DMET: B03187
NIKKAJI: J252.480E
LinkDB All DBs
KCF data Show

ATOM        16
            1   C1d C    29.4114  -18.2815
            2   C1y C    28.2448  -17.5175
            3   C1a C    29.4113  -19.6755
            4   C1a C    30.6595  -17.6458
            5   O1a O    30.6185  -18.9756
            6   C1x C    27.0375  -18.2465
            7   C1x C    28.4256  -16.1236
            8   C2y C    25.7194  -17.7566
            9   C1x C    27.4515  -15.1087
            10  C1y C    24.5821  -18.5731
            11  C2y C    25.2877  -16.4269
            12  C1y C    26.0576  -15.2486
            13  C1x C    23.4564  -17.7450
            14  C1a C    24.5704  -19.9671
            15  C1x C    23.8879  -16.4209
            16  C1a C    25.3344  -14.0530
BOND        17
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    8  11 2
            11    9  12 1
            12   10  13 1
            13   10  14 1 #Up
            14   11  15 1
            15   12  16 1 #Up
            16   11  12 1
            17   13  15 1

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