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 secondary metabolites - part 1
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
ChEMBL: CHEMBL3134414
PDB-CCD: 4MX[PDBj]
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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