| Entry |
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| Name |
3,4,3'-Tri-O-methylellagic acid
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| Formula |
C17H12O8
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| Exact mass |
344.0532
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| Mol weight |
344.2724
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| Structure |
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| Brite |
Phytochemical compounds [BR:br08003]
Others
Tannins and galloyl derivatives
Ellagitannins
C10836 3,4,3'-Tri-O-methylellagic acid
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 25
1 C8x C 24.1098 -18.1697
2 C8y C 24.1098 -19.5724
3 C8y C 25.3286 -20.2774
4 C8y C 26.5341 -19.5724
5 O7x O 27.7470 -20.2824
6 C8y C 28.9658 -19.5827
7 C8y C 25.3286 -17.4718
8 C8y C 26.5372 -18.1748
9 O7x O 26.5531 -15.3765
10 C8y C 25.3365 -16.0725
11 C8y C 27.6919 -16.0865
12 C8y C 27.7467 -17.4781
13 C8y C 28.9452 -18.1836
14 C8x C 30.1589 -17.5043
15 C8y C 30.1741 -16.1128
16 C8y C 28.9756 -15.4003
17 O2a O 28.9908 -13.9975
18 C1a C 30.2142 -13.3130
19 O1a O 31.3975 -15.4211
20 O6a O 30.1853 -20.2813
21 O6a O 24.1246 -15.3607
22 O2a O 22.8944 -20.2780
23 C1a C 21.6852 -19.5737
24 O2a O 25.3318 -21.6802
25 C1a C 24.1175 -22.3808
BOND 28
1 8 4 2
2 4 5 1
3 5 6 1
4 6 13 1
5 3 4 1
6 11 12 1
7 12 13 2
8 13 14 1
9 14 15 2
10 15 16 1
11 16 11 2
12 7 1 2
13 16 17 1
14 17 18 1
15 1 2 1
16 15 19 1
17 7 8 1
18 6 20 2
19 8 12 1
20 10 21 2
21 11 9 1
22 2 22 1
23 9 10 1
24 22 23 1
25 10 7 1
26 3 24 1
27 2 3 2
28 24 25 1
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