COMPOUND: C10237
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Entry
C10237 Compound
Name
Proanthocyanidin A2;
Epicatechin-(2beta->7,4beta->8)-epicatechin
Formula
C30H24O12
Exact mass
576.1268
Mol weight
576.5044
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Flavonoids
Complex flavonoids
Proanthocyanidins
C10237 Proanthocyanidin A2
BRITE hierarchy
Other DBs
CAS:
41743-41-3
PubChem:
12423
ChEBI:
28472
KNApSAcK:
C00002934
3DMET:
B03663
NIKKAJI:
J575.384H
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All DBs
KCF data
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ATOM 42
1 C1z C 29.5043 -13.8268
2 C1y C 29.4986 -15.2261
3 C8y C 30.7229 -13.1271
4 O2x O 30.7112 -14.5205
5 O2x O 28.3034 -13.1155
6 C1y C 28.2917 -15.9198
7 O1a O 28.4201 -14.5205
8 C8x C 31.9298 -13.8385
9 C8x C 30.7286 -11.7279
10 C8y C 30.7055 -15.9198
11 C8y C 27.0848 -13.8151
12 C8y C 29.4869 -16.6194
13 C8y C 27.0789 -15.2144
14 C8y C 33.1483 -13.1388
15 C8x C 31.9414 -11.0341
16 C8x C 31.9181 -16.6311
17 C8x C 25.8721 -13.1097
18 C8y C 29.4869 -18.0187
19 C8y C 25.8721 -15.9141
20 C8y C 33.1541 -11.7395
21 O1a O 34.3609 -13.8501
22 C8y C 31.9064 -18.0361
23 C8y C 24.6535 -13.8151
24 C8y C 30.6879 -18.7241
25 O2x O 28.2801 -18.7010
26 C8x C 24.6535 -15.2144
27 O1a O 25.8780 -17.3133
28 O1a O 34.3726 -11.0458
29 O1a O 33.1191 -18.7358
30 O1a O 23.4409 -13.1097
31 C1x C 30.6762 -20.1177
32 C1y C 28.2625 -20.0943
33 C1y C 29.4577 -20.8056
34 O1a O 29.4460 -22.2107
35 C8y C 27.0439 -20.7881
36 C8x C 25.8371 -20.0710
37 C8x C 27.0323 -22.1873
38 C8y C 24.6185 -20.7590
39 C8x C 25.8080 -22.8696
40 C8y C 24.6711 -22.1640
41 O1a O 23.4118 -20.0419
42 O1a O 23.3768 -22.8462
BOND 48
1 3 9 1
2 4 10 1
3 5 11 1
4 6 12 1 #Up
5 6 13 1
6 8 14 1
7 9 15 2
8 10 16 1
9 11 17 1
10 12 18 1
11 13 19 1
12 14 20 2
13 14 21 1
14 16 22 2
15 17 23 2
16 18 24 2
17 18 25 1
18 19 26 2
19 19 27 1
20 20 28 1
21 22 29 1
22 23 30 1
23 24 31 1
24 25 32 1
25 31 33 1
26 33 34 1 #Up
27 10 12 2
28 11 13 2
29 15 20 1
30 22 24 1
31 23 26 1
32 32 33 1
33 32 35 1 #Up
34 1 2 1
35 1 3 1
36 1 4 1 #Up
37 1 5 1
38 2 6 1
39 2 7 1 #Down
40 3 8 2
41 35 36 1
42 35 37 2
43 36 38 2
44 37 39 1
45 38 40 1
46 38 41 1
47 40 42 1
48 39 40 2
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