KEGG   COMPOUND: C19828Help
Entry
C19828                      Compound                               

Name
Arabidiol;
(13R,14R,17E)-Malabarica-17,21-diene-3beta,14-diol
Formula
C30H52O2
Exact mass
444.3967
Mol weight
444.7327
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 135626295
KCF data Show

ATOM        32
            1   C1x C    20.3000  -31.4300
            2   C1y C    20.3000  -32.7600
            3   C1z C    21.4900  -33.4600
            4   C1y C    22.6800  -32.7600
            5   C1x C    22.6800  -31.4300
            6   C1z C    19.1100  -33.4600
            7   C1y C    19.1100  -34.8600
            8   C1x C    20.3000  -35.4900
            9   C1x C    21.4900  -34.8600
            10  C1x C    17.9200  -32.7600
            11  C1x C    16.7300  -33.4600
            12  C1y C    16.7300  -34.8600
            13  C1z C    17.9200  -35.4900
            14  O1a O    15.5400  -35.4900
            15  C1a C    19.1100  -32.0600
            16  C1d C    23.8700  -33.4600
            17  C1b C    25.0600  -32.7600
            18  C1b C    26.2500  -33.4600
            19  C2b C    27.3700  -32.7600
            20  C2c C    28.5600  -33.4600
            21  C1b C    29.7500  -32.7600
            22  C1b C    30.9400  -33.4600
            23  C2b C    32.1300  -32.7600
            24  C2c C    33.3200  -33.4600
            25  C1a C    34.5100  -32.7600
            26  C1a C    28.5600  -34.8600
            27  C1a C    33.3200  -34.8600
            28  C1a C    17.2200  -36.8200
            29  C1a C    18.6200  -36.8200
            30  C1a C    23.8700  -34.8600
            31  O1a O    25.0824  -34.1600
            32  C1a C    22.1900  -34.6724
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     2   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    3   9 1
            11    6  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    7  13 1
            16   12  14 1 #Up
            17    6  15 1 #Up
            18    4  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   20  26 1
            29   24  27 1
            30   13  28 1
            31   13  29 1
            32   16  30 1 #Down
            33   16  31 1 #Up
            34    3  32 1 #Up

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