Entry |
|
Name |
Sinapoyl malate;
Sinapoyl-(S)-malate
|
Formula |
C15H16O9
|
Exact mass |
340.0794
|
Mol weight |
340.2821
|
Structure |
|
Reaction |
|
Pathway |
map01110 | Biosynthesis of secondary metabolites |
|
Enzyme |
|
Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Monolignols
Sinapate derivatives
C02887 Sinapoyl malate
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 24
1 C8y C 23.8000 -20.5100
2 C8x C 23.8000 -21.9100
3 C8y C 25.0124 -22.6100
4 C8y C 26.2249 -21.9100
5 C8y C 26.2249 -20.5100
6 C8x C 25.0124 -19.8100
7 O2a O 27.4560 -19.7990
8 C1a C 27.4560 -18.3990
9 O1a O 27.4560 -22.6210
10 O2a O 25.0124 -24.0098
11 C1a C 23.7832 -24.7197
12 C2b C 22.5876 -19.8100
13 C2b C 21.3921 -20.5004
14 C7a C 20.2047 -19.8149
15 O7a O 19.0135 -20.5029
16 O6a O 20.2045 -18.4102
17 C1c C 17.8240 -19.8162
18 C1b C 16.6339 -20.5035
19 C6a C 17.8238 -18.4102
20 O6a O 16.6309 -17.7216
21 O6a O 19.0558 -17.6986
22 C6a C 16.6339 -21.9035
23 O6a O 15.4385 -22.5940
24 O6a O 17.8687 -22.6165
BOND 24
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 5 7 1
8 7 8 1
9 4 9 1
10 3 10 1
11 10 11 1
12 1 12 1
13 12 13 2
14 13 14 1
15 14 15 1
16 14 16 2
17 17 15 1 #Up
18 17 18 1
19 17 19 1
20 19 20 2
21 19 21 1
22 18 22 1
23 22 23 1
24 22 24 2
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