KEGG   COMPOUND: C20417
Entry
C20417                      Compound                               
Name
2,4-Dihydroxy-6-pentylbenzoate;
Olivetolic acid
Formula
C12H16O4
Exact mass
224.1049
Mol weight
224.253
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
2.5.1.102       4.4.1.26
Other DBs
CAS: 491-72-5
PubChem: 163312154
PDB-CCD: 4MX[PDBj]
LinkDB
KCF data

ATOM        16
            1   C8y C    21.6646  -17.5980
            2   C8y C    21.6646  -16.2011
            3   C8y C    20.4772  -15.5026
            4   C8x C    19.2200  -16.2011
            5   C8y C    19.2200  -17.5980
            6   C8x C    20.4772  -18.2965
            7   C1b C    22.8520  -18.2965
            8   C1b C    24.1093  -17.5980
            9   C1b C    25.2967  -18.2965
            10  C1b C    26.4841  -17.5980
            11  C1a C    27.7413  -18.2965
            12  O1a O    18.0326  -18.2965
            13  O1a O    20.4772  -14.1057
            14  C6a C    22.8684  -15.5122
            15  O6a O    24.1107  -16.2354
            16  O6a O    22.8739  -14.1425
BOND        16
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    5  12 1
            13    3  13 1
            14    2  14 1
            15   14  15 1
            16   14  16 2

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