KEGG   COMPOUND: C17620Help
Entry
C17620                      Compound                               

Name
Epomediol;
2,6-Dihydroxycineol
Formula
C10H18O3
Exact mass
186.1256
Mol weight
186.2481
Structure
Mol fileKCF fileDB search
Remark
ATC code: A05BA05
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A05 BILE AND LIVER THERAPY
   A05B LIVER THERAPY, LIPOTROPICS
    A05BA Liver therapy
     A05BA05 Epomediol
      C17620  Epomediol
BRITE hierarchy
Other DBs
CAS: 56084-15-2
PubChem: 96023964
ChEBI: 81225
ChEMBL: CHEMBL3707255
NIKKAJI: J33.901F
LinkDB All DBs
KCF data Show

ATOM        13
            1   C1z C    27.7900  -20.3700
            2   O2x O    29.1200  -20.6500
            3   C1y C    26.0400  -20.7900
            4   C1y C    27.5100  -19.1100
            5   C1a C    28.8400  -19.3900
            6   C1z C    29.1200  -21.8400
            7   C1x C    25.7600  -21.9800
            8   C1x C    26.8800  -19.5300
            9   C1y C    27.6500  -21.4200
            10  C1a C    30.1700  -22.3300
            11  C1a C    29.1200  -23.1700
            12  O1a O    25.0478  -19.8023
            13  O1a O    28.0320  -17.8109
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     6   9 1
            9     6  10 1
            10    6  11 1
            11    7   9 1
            12    8   9 1
            13    3  12 1
            14    4  13 1

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