KEGG   COMPOUND: C21903
Entry
C21903                      Compound                               
Name
Delta9-Tetrahydrocannabinolate
Formula
C22H30O4
Exact mass
358.2144
Mol weight
358.4712
Structure
Reaction
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00894  Cannabidiol biosynthesis, malonyl-CoA => cannabidiol/dronabinol
Enzyme
KCF data

ATOM        26
            1   C1y C    15.2538  -16.0235
            2   C8y C    16.4433  -16.7232
            3   C1y C    14.0643  -16.7232
            4   C2x C    15.2538  -14.6240
            5   C8y C    16.4433  -18.0526
            6   C8y C    17.6328  -16.0235
            7   C1z C    14.0643  -18.0526
            8   C1x C    12.8747  -16.0235
            9   C2y C    14.0643  -13.9243
            10  O2x O    15.2538  -18.7523
            11  C8x C    17.6328  -18.7523
            12  C8y C    18.8223  -16.7232
            13  O1a O    17.6328  -14.6240
            14  C1a C    14.0643  -19.7319
            15  C1a C    12.5249  -18.7523
            16  C1x C    12.8747  -14.6240
            17  C1a C    14.0643  -12.5949
            18  C8y C    18.8223  -18.0526
            19  C1b C    20.0118  -18.7523
            20  C1b C    21.2013  -18.0526
            21  C1b C    22.3209  -18.7523
            22  C1b C    23.5104  -18.0526
            23  C1a C    24.6999  -18.7523
            24  C6a C    20.0404  -16.0265
            25  O6a O    21.2362  -16.7235
            26  O6a O    20.0461  -14.6302
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    8  16 1
            16    9  17 1
            17   11  18 2
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23    7  10 1
            24    9  16 1
            25   12  18 1
            26   12  24 1
            27   24  25 2
            28   24  26 1

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