KEGG   COMPOUND: C20212
Entry
C20212                      Compound                               
Name
Steviol;
13-Hydroxykaur-16-en-18-oic acid
Formula
C20H30O3
Exact mass
318.2195
Mol weight
318.4504
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010413 Kaurane and phyllocladane diterpenoids
     C20212  Steviol
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Kaurenes
    C20212  Steviol
Other DBs
CAS: 471-80-7
PubChem: 163311955
ChEBI: 145024
LIPIDMAPS: LMPR01040120
KNApSAcK: C00034695
KCF data

ATOM        23
            1   O6a O    18.5500  -22.9600
            2   C1z C    22.2600  -18.2700
            3   C1y C    21.0700  -17.5700
            4   C1x C    23.4500  -17.6400
            5   C1x C    22.2600  -19.6700
            6   C1z C    19.8800  -18.2700
            7   C1x C    21.0700  -16.2400
            8   C1z C    23.4500  -16.2400
            9   C1x C    21.0700  -20.3700
            10  C1y C    19.8800  -19.6700
            11  C1x C    18.6900  -17.5700
            12  C1a C    19.8800  -16.8700
            13  C1x C    22.2600  -15.5400
            14  C1z C    18.6900  -20.3700
            15  C1x C    17.5000  -18.2700
            16  C1x C    17.5000  -19.6700
            17  C1x C    23.4500  -18.9700
            18  C2y C    24.7100  -16.9400
            19  C2a C    26.0400  -16.5900
            20  C1a C    19.1100  -21.7700
            21  C6a C    17.9900  -21.5600
            22  O6a O    16.5900  -21.5600
            23  O1a O    24.1449  -15.0246
BOND        26
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     3   6 1
            5     3   7 1
            6     4   8 1
            7     5   9 1
            8     6  10 1
            9     6  11 1
            10    6  12 1 #Down
            11    7  13 1
            12   10  14 1
            13   11  15 1
            14   14  16 1
            15    8  13 1
            16    9  10 1
            17   15  16 1
            18    2  17 1 #Up
            19    8  18 1 #Up
            20   17  18 1
            21   18  19 2
            22   14  20 1 #Up
            23   14  21 1 #Down
            24   21   1 1
            25   21  22 2
            26    8  23 1 #Down

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