COMPOUND: C20738
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Entry
C20738 Compound
Name
6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol
Formula
C28H42O2
Exact mass
410.3185
Mol weight
410.6319
Structure
Mol file
KCF file
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Reaction
R10624
R10710
Pathway
map00130
Ubiquinone and other terpenoid-quinone biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Module
M00112
Tocopherol/tocotorienol biosynthesis, homogentisate + phytyl/geranylgeranyl-PP => tocopherol/tocotorienol
Enzyme
2.1.1.295
5.5.1.24
Other DBs
PubChem:
254741206
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KCF data
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ATOM 30
1 C8y C 8.4391 -15.4601
2 C8y C 8.4391 -16.8717
3 C8y C 9.6618 -17.5775
4 C8y C 10.8842 -16.8717
5 C8y C 10.8842 -15.4601
6 C8x C 9.6618 -14.7542
7 O1a O 7.2167 -14.7542
8 C1a C 7.2167 -17.5775
9 C1a C 9.6618 -18.9888
10 O1a O 12.1256 -17.5886
11 C1b C 12.1256 -14.7431
12 C2b C 13.3408 -15.4446
13 C2c C 14.5330 -14.7561
14 C1b C 15.7370 -15.4512
15 C1b C 16.9346 -14.7594
16 C2b C 18.1356 -15.4529
17 C2c C 19.3350 -14.7603
18 C1b C 20.5352 -15.4534
19 C1a C 19.3351 -13.3427
20 C1a C 14.5330 -13.3427
21 C1b C 21.7349 -14.7605
22 C2b C 22.9349 -15.4535
23 C2c C 24.1347 -14.7606
24 C1b C 25.3346 -15.4536
25 C1b C 26.5345 -14.7606
26 C2b C 27.7344 -15.4536
27 C2c C 28.9344 -14.7606
28 C1a C 30.1343 -15.4536
29 C1a C 24.1347 -13.3595
30 C1a C 28.9343 -13.3597
BOND 30
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 2 8 1
9 3 9 1
10 4 10 1
11 5 11 1
12 11 12 1
13 12 13 2
14 13 20 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 2
19 17 18 1
20 17 19 1
21 18 21 1
22 21 22 1
23 22 23 2
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 2
28 27 28 1
29 23 29 1
30 27 30 1
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