KEGG   COMPOUND: C21801
Entry
C21801                      Compound                               
Name
(+)-Demethylpiperitol;
Sesamin monocatechol
Formula
C19H18O6
Exact mass
342.1103
Mol weight
342.34
Structure
Reaction
Enzyme
LinkDB
KCF data

ATOM        25
            1   C8x C    20.9774  -12.7595
            2   C8y C    20.9774  -14.1589
            3   C8x C    22.1923  -14.8586
            4   C8x C    22.1923  -12.0596
            5   C8y C    23.3932  -12.7595
            6   C8y C    23.3922  -14.1526
            7   O1a O    24.7171  -14.5840
            8   O1a O    24.7182  -12.3297
            9   C1y C    19.8013  -14.8722
            10  O2x O    18.6659  -14.0466
            11  C1x C    17.5307  -14.8722
            12  C1y C    19.3656  -16.2023
            13  C1y C    17.9707  -16.1959
            14  C1y C    17.5332  -17.5208
            15  O2x O    18.6581  -18.3457
            16  C1x C    19.7906  -17.5313
            17  C8y C    16.2426  -18.2580
            18  C8x C    15.0278  -20.3642
            19  C8x C    16.2426  -19.6575
            20  C8x C    15.0278  -17.5654
            21  C8y C    13.8200  -19.6575
            22  C8y C    13.8241  -18.2551
            23  O2x O    12.4916  -17.8249
            24  C1x C    11.6641  -18.9571
            25  O2x O    12.4848  -20.0940
BOND        29
            1     5   6 2
            2     6   7 1
            3    12  13 1
            4    13  14 1
            5    14  15 1
            6    15  16 1
            7    16  12 1
            8    14  17 1 #Down
            9     8   5 1
            10    4   1 2
            11   21  18 1
            12   18  19 2
            13   19  17 1
            14   17  20 2
            15   20  22 1
            16    1   2 1
            17   12   9 1
            18    9  10 1
            19   10  11 1
            20   21  22 2
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  21 1
            25    9   2 1 #Down
            26   11  13 1
            27    2   3 2
            28    3   6 1
            29    5   4 1

» Japanese version

DBGET integrated database retrieval system