Mol:FL3FAACS0087
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
2.2877 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5732 -0.2823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8587 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.5732 -1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.1443 -0.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5702 -1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1443 -1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5732 -2.5043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0891 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8035 -0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.5180 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8035 1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0891 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3692 2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8577 1.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3453 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2341 0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2545 0.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2578 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.8577 2.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0528 0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0399 1.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7478 1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4686 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4816 0.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7737 0.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7866 -0.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.3200 1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3070 2.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6130 1.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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21 28 1 0 0 0 0
22 29 1 0 0 0 0
7 24 1 0 0 0 0
31 32 2 0 0 0 0
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42 23 1 0 0 0 0
S SKP 8
ID FL3FAACS0087
KNApSAcK_ID C00014088
NAME Vitexin 2''-O-gallate
CAS_RN 267883-59-0
FORMULA C28H24O14
EXACTMASS 584.116605476
AVERAGEMASS 584.48176
SMILES C(C(c(c(O)5)c(O3)c(c(c5)O)C(=O)C=C3c(c4)ccc(c4)O)2)(C(O)C(O)C(CO)O2)OC(=O)c(c1)cc(O)c(O)c1O
M END
