Entry |
|
Name |
|
Formula |
C16H22O10
|
Exact mass |
374.1213
|
Mol weight |
374.34
|
Structure |
|
Reaction |
|
Pathway |
map01110 | Biosynthesis of secondary metabolites |
|
Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0102 C10 isoprenoids (monoterpenes)
PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
C11673 Geniposidic acid
C11673 Geniposidic acid
Phytochemical compounds [BR:br08003]
Terpenoids
Monoterpenoids (C10)
Iridoids
C11673 Geniposidic acid
Glycosides [BR:br08021]
O-glycosides
Iridoid glycosides
C11673 Geniposidic acid
|
Other DBs |
|
KCF data |
ATOM 26
1 C1y C 25.9976 -14.7419
2 C1y C 25.9976 -13.3622
3 C1y C 27.1768 -15.4435
4 C2y C 24.6830 -15.1661
5 C2y C 27.1768 -12.6840
6 C1x C 24.6889 -12.9496
7 O2a O 27.1523 -17.5073
8 O2x O 28.3737 -14.7419
9 C2x C 23.8872 -14.0464
10 C1b C 24.2518 -16.4573
11 C2x C 28.3737 -13.3622
12 C6a C 27.1711 -11.3231
13 C1y C 25.8973 -18.5561
14 O6a O 28.3562 -10.6446
15 O6a O 25.9860 -10.6505
16 O2x O 24.7063 -17.8849
17 C1y C 25.8973 -19.9241
18 C1y C 23.5269 -18.5689
19 C1y C 24.7063 -20.6083
20 O1a O 27.0824 -20.6083
21 C1y C 23.5269 -19.9241
22 C1b C 22.3535 -17.8849
23 O1a O 24.7063 -21.9705
24 O1a O 22.3535 -20.6083
25 O1a O 21.3165 -18.7566
26 O1a O 22.8867 -16.7360
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1 #Up
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 2
11 5 12 1
12 13 7 1 #Up
13 12 14 1
14 12 15 2
15 13 16 1
16 13 17 1
17 16 18 1
18 17 19 1
19 17 20 1 #Down
20 18 21 1
21 18 22 1 #Up
22 19 23 1 #Up
23 21 24 1 #Down
24 22 25 1
25 6 9 1
26 8 11 1
27 19 21 1
28 10 26 1
|