Mol:FL3FAACS0082
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
4.7093 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9948 1.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2804 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2804 -0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9948 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7093 -0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5659 1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8514 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8514 -0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5659 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9948 -1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5107 1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2252 0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9396 1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9396 1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2252 2.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5107 1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6231 2.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.8880 0.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4754 -0.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1164 -0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7038 0.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3005 -2.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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8 20 1 0 0 0 0
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32 52 1 0 0 0 0
S SKP 8
ID FL3FAACS0082
KNApSAcK_ID C00014082
NAME Isovitexin 2''-O-(6'''-feruloyl)glucoside
CAS_RN 220948-77-6
FORMULA C37H38O18
EXACTMASS 770.205814412
AVERAGEMASS 770.6868199999999
SMILES C(=CC(=O)OCC(O2)C(O)C(O)C(C2OC(C6O)C(OC(CO)C(O)6)c(c3O)c(O)cc(O4)c(C(=O)C=C(c(c5)ccc(O)c5)4)3)O)c(c1)ccc(O)c1OC
M END
