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 secondary metabolites - part 1
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00894  Cannabidiol biosynthesis, malonyl-CoA => cannabidiol/dronabinol
Enzyme
Other DBs
ChEMBL: CHEMBL465718
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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